The compound described by Mn23As16 crystallizes in the triclinic P1 space group. There are twenty-three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one As(1), one As(3), one As(4), one As(7), and one As(8) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with three equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(10)As5 trigonal bipyramids,  an edgeedge with one Mn(3)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, edges with two equivalent Mn(2)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid, and  a faceface with one Mn(13)As6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Mn site, Mn(2) is bonded to one As(2), one As(3), one As(4), one As(7), and one As(8) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with three equivalent Mn(13)As6 octahedra, corners with two equivalent Mn(21)As4 tetrahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid, corners with three equivalent Mn(9)As5 trigonal bipyramids,  an edgeedge with one Mn(3)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, edges with two equivalent Mn(1)As5 square pyramids,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and  a faceface with one Mn(14)As6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Mn site, Mn(3) is bonded to one As(1), one As(2), one As(3), one As(5), and one As(6) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with three equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(12)As5 trigonal bipyramids,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid, edges with two equivalent Mn(4)As5 square pyramids,  an edgeedge with one Mn(11)As5 trigonal bipyramid, and  a faceface with one Mn(13)As6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth Mn site, Mn(4) is bonded to one As(1), one As(2), one As(4), one As(5), and one As(6) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with three equivalent Mn(13)As6 octahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(11)As5 trigonal bipyramids,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid, edges with two equivalent Mn(3)As5 square pyramids,  an edgeedge with one Mn(12)As5 trigonal bipyramid, and  a faceface with one Mn(14)As6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth Mn site, Mn(5) is bonded to one As(13), one As(14), one As(3), one As(7), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with two equivalent Mn(13)As6 octahedra,  a cornercorner with one Mn(15)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with three equivalent Mn(16)As5 square pyramids,  a cornercorner with one Mn(21)As4 tetrahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid, corners with two equivalent Mn(6)As5 trigonal bipyramids,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-52°. In the sixth Mn site, Mn(6) is bonded to one As(10), one As(13), one As(14), one As(4), and one As(8) atom to form distorted MnAs5 trigonal bipyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with two equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(16)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with three equivalent Mn(15)As5 square pyramids,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with two equivalent Mn(5)As5 trigonal bipyramids,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one As(1), one As(11), one As(15), one As(16), and one As(5) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one As(12), one As(15), one As(16), one As(2), and one As(6) atom. In the ninth Mn site, Mn(9) is bonded to one As(10), one As(3), one As(4), one As(8), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(15)As5 square pyramids, corners with three equivalent Mn(2)As5 square pyramids,  a cornercorner with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and edges with two equivalent Mn(10)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 21°. In the tenth Mn site, Mn(10) is bonded to one As(10), one As(3), one As(4), one As(7), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(16)As5 square pyramids, corners with three equivalent Mn(1)As5 square pyramids,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and edges with two equivalent Mn(9)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-22°. In the eleventh Mn site, Mn(11) is bonded to one As(1), one As(11), one As(12), one As(2), and one As(6) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with two equivalent Mn(17)As5 square pyramids, corners with three equivalent Mn(4)As5 square pyramids,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(18)As5 square pyramid,  an edgeedge with one Mn(3)As5 square pyramid, and edges with two equivalent Mn(12)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 19°. In the twelfth Mn site, Mn(12) is bonded to one As(1), one As(11), one As(12), one As(2), and one As(5) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(18)As5 square pyramids, corners with three equivalent Mn(3)As5 square pyramids,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, and edges with two equivalent Mn(11)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 19°. In the thirteenth Mn site, Mn(13) is bonded to one As(1), one As(3), one As(5), one As(6), one As(7), and one As(8) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with three equivalent Mn(2)As5 square pyramids, corners with three equivalent Mn(4)As5 square pyramids,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(5)As5 trigonal bipyramids, edges with two equivalent Mn(14)As6 octahedra,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(1)As5 square pyramid, and  a faceface with one Mn(3)As5 square pyramid. In the fourteenth Mn site, Mn(14) is bonded to one As(2), one As(4), one As(5), one As(6), one As(7), and one As(8) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with three equivalent Mn(1)As5 square pyramids, corners with three equivalent Mn(3)As5 square pyramids, corners with two equivalent Mn(21)As4 tetrahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid, corners with two equivalent Mn(6)As5 trigonal bipyramids, edges with two equivalent Mn(13)As6 octahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(2)As5 square pyramid, and  a faceface with one Mn(4)As5 square pyramid. In the fifteenth Mn site, Mn(15) is bonded to one As(10), one As(13), one As(14), one As(16), and one As(9) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(19)As6 octahedra, corners with three equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid, corners with two equivalent Mn(9)As5 trigonal bipyramids, corners with three equivalent Mn(6)As5 trigonal bipyramids,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(18)As5 square pyramid, edges with two equivalent Mn(16)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid, and  a faceface with one Mn(19)As6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the sixteenth Mn site, Mn(16) is bonded to one As(10), one As(13), one As(14), one As(15), and one As(9) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(20)As6 octahedra, corners with three equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(10)As5 trigonal bipyramids, corners with three equivalent Mn(5)As5 trigonal bipyramids,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(18)As5 square pyramid, edges with two equivalent Mn(15)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid, and  a faceface with one Mn(20)As6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the seventeenth Mn site, Mn(17) is bonded to one As(11), one As(12), one As(14), one As(15), and one As(16) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(19)As6 octahedra, corners with three equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(11)As5 trigonal bipyramids,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid, edges with two equivalent Mn(18)As5 square pyramids,  an edgeedge with one Mn(12)As5 trigonal bipyramid, and  a faceface with one Mn(19)As6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the eighteenth Mn site, Mn(18) is bonded to one As(11), one As(12), one As(13), one As(15), and one As(16) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(20)As6 octahedra, corners with three equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(21)As4 tetrahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(12)As5 trigonal bipyramids,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid, edges with two equivalent Mn(17)As5 square pyramids,  an edgeedge with one Mn(11)As5 trigonal bipyramid, and  a faceface with one Mn(20)As6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the nineteenth Mn site, Mn(19) is bonded to one As(10), one As(11), one As(12), one As(14), one As(16), and one As(9) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(15)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid, corners with three equivalent Mn(16)As5 square pyramids, corners with three equivalent Mn(18)As5 square pyramids,  a cornercorner with one Mn(21)As4 tetrahedra, corners with two equivalent Mn(11)As5 trigonal bipyramids, corners with two equivalent Mn(9)As5 trigonal bipyramids, edges with two equivalent Mn(20)As6 octahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  a faceface with one Mn(15)As5 square pyramid, and  a faceface with one Mn(17)As5 square pyramid. In the twentieth Mn site, Mn(20) is bonded to one As(10), one As(11), one As(12), one As(13), one As(15), and one As(9) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(16)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid, corners with three equivalent Mn(15)As5 square pyramids, corners with three equivalent Mn(17)As5 square pyramids, corners with two equivalent Mn(21)As4 tetrahedra, corners with two equivalent Mn(10)As5 trigonal bipyramids, corners with two equivalent Mn(12)As5 trigonal bipyramids, edges with two equivalent Mn(19)As6 octahedra,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(16)As5 square pyramid, and  a faceface with one Mn(18)As5 square pyramid. In the twenty-first Mn site, Mn(21) is bonded to one As(13), one As(7), one As(8), and one As(9) atom to form distorted MnAs4 tetrahedra that share  a cornercorner with one Mn(19)As6 octahedra, corners with two equivalent Mn(14)As6 octahedra, corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(18)As5 square pyramid, corners with two equivalent Mn(2)As5 square pyramids,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-50°. In the twenty-second Mn site, Mn(22) is bonded in a 4-coordinate geometry to one As(12), one As(16), one As(5), and one As(6) atom. In the twenty-third Mn site, Mn(23) is bonded in a 4-coordinate geometry to one As(11), one As(15), one As(5), and one As(6) atom. There are sixteen inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(11), one Mn(12), one Mn(13), one Mn(3), one Mn(4), and one Mn(7) atom. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(3), one Mn(4), and one Mn(8) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(13), one Mn(2), one Mn(3), one Mn(5), and one Mn(9) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(14), one Mn(2), one Mn(4), one Mn(6), and one Mn(9) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Mn(12), one Mn(13), one Mn(14), one Mn(22), one Mn(23), one Mn(3), one Mn(4), and one Mn(7) atom. In the sixth As site, As(6) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(13), one Mn(14), one Mn(22), one Mn(23), one Mn(3), one Mn(4), and one Mn(8) atom. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(13), one Mn(14), one Mn(2), one Mn(21), and one Mn(5) atom. In the eighth As site, As(8) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(13), one Mn(14), one Mn(2), one Mn(21), one Mn(6), and one Mn(9) atom. In the ninth As site, As(9) is bonded in a 8-coordinate geometry to one Mn(10), one Mn(15), one Mn(16), one Mn(19), one Mn(20), one Mn(21), one Mn(5), and one Mn(9) atom. In the tenth As site, As(10) is bonded to one Mn(10), one Mn(15), one Mn(16), one Mn(19), one Mn(20), one Mn(6), and one Mn(9) atom to form distorted edge-sharing AsMn7 pentagonal bipyramids. In the eleventh As site, As(11) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(12), one Mn(17), one Mn(18), one Mn(19), one Mn(20), one Mn(23), and one Mn(7) atom. In the twelfth As site, As(12) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(12), one Mn(17), one Mn(18), one Mn(19), one Mn(20), one Mn(22), and one Mn(8) atom. In the thirteenth As site, As(13) is bonded in a 7-coordinate geometry to one Mn(15), one Mn(16), one Mn(18), one Mn(20), one Mn(21), one Mn(5), and one Mn(6) atom. In the fourteenth As site, As(14) is bonded to one Mn(15), one Mn(16), one Mn(17), one Mn(19), one Mn(5), and one Mn(6) atom to form distorted edge-sharing AsMn6 pentagonal pyramids. In the fifteenth As site, As(15) is bonded in a 7-coordinate geometry to one Mn(16), one Mn(17), one Mn(18), one Mn(20), one Mn(23), one Mn(7), and one Mn(8) atom. In the sixteenth As site, As(16) is bonded in a 7-coordinate geometry to one Mn(15), one Mn(17), one Mn(18), one Mn(19), one Mn(22), one Mn(7), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn23As16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   7.015
_cell_length_c   12.854
_cell_angle_alpha   82.156
_cell_angle_beta   82.280
_cell_angle_gamma   104.929
_symmetry_Int_Tables_number   1
_cell_volume   570.718
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.864  0.067  0.597  1.0
  Mn  Mn1  1  0.870  0.568  0.593  1.0
  Mn  Mn2  1  0.129  0.932  0.408  1.0
  Mn  Mn3  1  0.130  0.432  0.409  1.0
  Mn  Mn4  1  0.859  0.773  0.767  1.0
  Mn  Mn5  1  0.861  0.273  0.767  1.0
  Mn  Mn6  1  0.145  0.230  0.232  1.0
  Mn  Mn7  1  0.146  0.727  0.231  1.0
  Mn  Mn8  1  0.211  0.122  0.720  1.0
  Mn  Mn9  1  0.209  0.621  0.720  1.0
  Mn  Mn10  1  0.776  0.874  0.283  1.0
  Mn  Mn11  1  0.777  0.374  0.283  1.0
  Mn  Mn12  1  0.505  0.999  0.510  1.0
  Mn  Mn13  1  0.503  0.502  0.504  1.0
  Mn  Mn14  1  0.429  0.619  0.902  1.0
  Mn  Mn15  1  0.430  0.144  0.904  1.0
  Mn  Mn16  1  0.578  0.373  0.083  1.0
  Mn  Mn17  1  0.575  0.871  0.088  1.0
  Mn  Mn18  1  0.996  0.498  1.000  1.0
  Mn  Mn19  1  0.997  0.000  0.999  1.0
  Mn  Mn20  1  0.524  0.943  0.752  1.0
  Mn  Mn21  1  0.477  0.556  0.246  1.0
  Mn  Mn22  1  0.476  0.060  0.245  1.0
  As  As23  1  0.870  0.117  0.406  1.0
  As  As24  1  0.873  0.618  0.403  1.0
  As  As25  1  0.129  0.883  0.596  1.0
  As  As26  1  0.131  0.381  0.597  1.0
  As  As27  1  0.403  0.256  0.376  1.0
  As  As28  1  0.403  0.759  0.375  1.0
  As  As29  1  0.592  0.727  0.637  1.0
  As  As30  1  0.593  0.251  0.638  1.0
  As  As31  1  0.175  0.827  0.864  1.0
  As  As32  1  0.173  0.328  0.864  1.0
  As  As33  1  0.825  0.174  0.134  1.0
  As  As34  1  0.825  0.671  0.134  1.0
  As  As35  1  0.703  0.952  0.898  1.0
  As  As36  1  0.710  0.454  0.891  1.0
  As  As37  1  0.296  0.051  0.097  1.0
  As  As38  1  0.299  0.548  0.096  1.0
[/CIF]
.
The compound described by Mn23As16 crystallizes in the triclinic P1 space group. There are twenty-three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one As(1), one As(3), one As(4), one As(7), and one As(8) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with three equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(10)As5 trigonal bipyramids,  an edgeedge with one Mn(3)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, edges with two equivalent Mn(2)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid, and  a faceface with one Mn(13)As6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Mn site, Mn(2) is bonded to one As(2), one As(3), one As(4), one As(7), and one As(8) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with three equivalent Mn(13)As6 octahedra, corners with two equivalent Mn(21)As4 tetrahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid, corners with three equivalent Mn(9)As5 trigonal bipyramids,  an edgeedge with one Mn(3)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, edges with two equivalent Mn(1)As5 square pyramids,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and  a faceface with one Mn(14)As6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Mn site, Mn(3) is bonded to one As(1), one As(2), one As(3), one As(5), and one As(6) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with three equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(11)As5 trigonal bipyramid,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(12)As5 trigonal bipyramids,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid, edges with two equivalent Mn(4)As5 square pyramids,  an edgeedge with one Mn(11)As5 trigonal bipyramid, and  a faceface with one Mn(13)As6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth Mn site, Mn(4) is bonded to one As(1), one As(2), one As(4), one As(5), and one As(6) atom to form MnAs5 square pyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with three equivalent Mn(13)As6 octahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid,  a cornercorner with one Mn(12)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with three equivalent Mn(11)As5 trigonal bipyramids,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid, edges with two equivalent Mn(3)As5 square pyramids,  an edgeedge with one Mn(12)As5 trigonal bipyramid, and  a faceface with one Mn(14)As6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth Mn site, Mn(5) is bonded to one As(13), one As(14), one As(3), one As(7), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share  a cornercorner with one Mn(14)As6 octahedra, corners with two equivalent Mn(13)As6 octahedra,  a cornercorner with one Mn(15)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with three equivalent Mn(16)As5 square pyramids,  a cornercorner with one Mn(21)As4 tetrahedra,  a cornercorner with one Mn(10)As5 trigonal bipyramid, corners with two equivalent Mn(6)As5 trigonal bipyramids,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-52°. In the sixth Mn site, Mn(6) is bonded to one As(10), one As(13), one As(14), one As(4), and one As(8) atom to form distorted MnAs5 trigonal bipyramids that share  a cornercorner with one Mn(13)As6 octahedra, corners with two equivalent Mn(14)As6 octahedra,  a cornercorner with one Mn(16)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with three equivalent Mn(15)As5 square pyramids,  a cornercorner with one Mn(9)As5 trigonal bipyramid, corners with two equivalent Mn(5)As5 trigonal bipyramids,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one As(1), one As(11), one As(15), one As(16), and one As(5) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one As(12), one As(15), one As(16), one As(2), and one As(6) atom. In the ninth Mn site, Mn(9) is bonded to one As(10), one As(3), one As(4), one As(8), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(15)As5 square pyramids, corners with three equivalent Mn(2)As5 square pyramids,  a cornercorner with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and edges with two equivalent Mn(10)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 21°. In the tenth Mn site, Mn(10) is bonded to one As(10), one As(3), one As(4), one As(7), and one As(9) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(16)As5 square pyramids, corners with three equivalent Mn(1)As5 square pyramids,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(2)As5 square pyramid,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and edges with two equivalent Mn(9)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-22°. In the eleventh Mn site, Mn(11) is bonded to one As(1), one As(11), one As(12), one As(2), and one As(6) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with two equivalent Mn(17)As5 square pyramids, corners with three equivalent Mn(4)As5 square pyramids,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(20)As6 octahedra,  an edgeedge with one Mn(18)As5 square pyramid,  an edgeedge with one Mn(3)As5 square pyramid, and edges with two equivalent Mn(12)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 19°. In the twelfth Mn site, Mn(12) is bonded to one As(1), one As(11), one As(12), one As(2), and one As(5) atom to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with two equivalent Mn(18)As5 square pyramids, corners with three equivalent Mn(3)As5 square pyramids,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(14)As6 octahedra,  an edgeedge with one Mn(19)As6 octahedra,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(4)As5 square pyramid, and edges with two equivalent Mn(11)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 19°. In the thirteenth Mn site, Mn(13) is bonded to one As(1), one As(3), one As(5), one As(6), one As(7), and one As(8) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(1)As5 square pyramid,  a cornercorner with one Mn(3)As5 square pyramid, corners with three equivalent Mn(2)As5 square pyramids, corners with three equivalent Mn(4)As5 square pyramids,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(5)As5 trigonal bipyramids, edges with two equivalent Mn(14)As6 octahedra,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(1)As5 square pyramid, and  a faceface with one Mn(3)As5 square pyramid. In the fourteenth Mn site, Mn(14) is bonded to one As(2), one As(4), one As(5), one As(6), one As(7), and one As(8) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(2)As5 square pyramid,  a cornercorner with one Mn(4)As5 square pyramid, corners with three equivalent Mn(1)As5 square pyramids, corners with three equivalent Mn(3)As5 square pyramids, corners with two equivalent Mn(21)As4 tetrahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid, corners with two equivalent Mn(6)As5 trigonal bipyramids, edges with two equivalent Mn(13)As6 octahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(2)As5 square pyramid, and  a faceface with one Mn(4)As5 square pyramid. In the fifteenth Mn site, Mn(15) is bonded to one As(10), one As(13), one As(14), one As(16), and one As(9) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(19)As6 octahedra, corners with three equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid, corners with two equivalent Mn(9)As5 trigonal bipyramids, corners with three equivalent Mn(6)As5 trigonal bipyramids,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(18)As5 square pyramid, edges with two equivalent Mn(16)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid, and  a faceface with one Mn(19)As6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the sixteenth Mn site, Mn(16) is bonded to one As(10), one As(13), one As(14), one As(15), and one As(9) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(20)As6 octahedra, corners with three equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(10)As5 trigonal bipyramids, corners with three equivalent Mn(5)As5 trigonal bipyramids,  an edgeedge with one Mn(17)As5 square pyramid,  an edgeedge with one Mn(18)As5 square pyramid, edges with two equivalent Mn(15)As5 square pyramids,  an edgeedge with one Mn(21)As4 tetrahedra,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid, and  a faceface with one Mn(20)As6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the seventeenth Mn site, Mn(17) is bonded to one As(11), one As(12), one As(14), one As(15), and one As(16) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(19)As6 octahedra, corners with three equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(11)As5 trigonal bipyramids,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid, edges with two equivalent Mn(18)As5 square pyramids,  an edgeedge with one Mn(12)As5 trigonal bipyramid, and  a faceface with one Mn(19)As6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the eighteenth Mn site, Mn(18) is bonded to one As(11), one As(12), one As(13), one As(15), and one As(16) atom to form distorted MnAs5 square pyramids that share  a cornercorner with one Mn(20)As6 octahedra, corners with three equivalent Mn(19)As6 octahedra,  a cornercorner with one Mn(21)As4 tetrahedra,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  a cornercorner with one Mn(6)As5 trigonal bipyramid, corners with two equivalent Mn(12)As5 trigonal bipyramids,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid, edges with two equivalent Mn(17)As5 square pyramids,  an edgeedge with one Mn(11)As5 trigonal bipyramid, and  a faceface with one Mn(20)As6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the nineteenth Mn site, Mn(19) is bonded to one As(10), one As(11), one As(12), one As(14), one As(16), and one As(9) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(15)As5 square pyramid,  a cornercorner with one Mn(17)As5 square pyramid, corners with three equivalent Mn(16)As5 square pyramids, corners with three equivalent Mn(18)As5 square pyramids,  a cornercorner with one Mn(21)As4 tetrahedra, corners with two equivalent Mn(11)As5 trigonal bipyramids, corners with two equivalent Mn(9)As5 trigonal bipyramids, edges with two equivalent Mn(20)As6 octahedra,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(12)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  a faceface with one Mn(15)As5 square pyramid, and  a faceface with one Mn(17)As5 square pyramid. In the twentieth Mn site, Mn(20) is bonded to one As(10), one As(11), one As(12), one As(13), one As(15), and one As(9) atom to form MnAs6 octahedra that share  a cornercorner with one Mn(16)As5 square pyramid,  a cornercorner with one Mn(18)As5 square pyramid, corners with three equivalent Mn(15)As5 square pyramids, corners with three equivalent Mn(17)As5 square pyramids, corners with two equivalent Mn(21)As4 tetrahedra, corners with two equivalent Mn(10)As5 trigonal bipyramids, corners with two equivalent Mn(12)As5 trigonal bipyramids, edges with two equivalent Mn(19)As6 octahedra,  an edgeedge with one Mn(11)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid,  an edgeedge with one Mn(9)As5 trigonal bipyramid,  a faceface with one Mn(16)As5 square pyramid, and  a faceface with one Mn(18)As5 square pyramid. In the twenty-first Mn site, Mn(21) is bonded to one As(13), one As(7), one As(8), and one As(9) atom to form distorted MnAs4 tetrahedra that share  a cornercorner with one Mn(19)As6 octahedra, corners with two equivalent Mn(14)As6 octahedra, corners with two equivalent Mn(20)As6 octahedra,  a cornercorner with one Mn(18)As5 square pyramid, corners with two equivalent Mn(2)As5 square pyramids,  a cornercorner with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(13)As6 octahedra,  an edgeedge with one Mn(1)As5 square pyramid,  an edgeedge with one Mn(15)As5 square pyramid,  an edgeedge with one Mn(16)As5 square pyramid,  an edgeedge with one Mn(10)As5 trigonal bipyramid,  an edgeedge with one Mn(5)As5 trigonal bipyramid,  an edgeedge with one Mn(6)As5 trigonal bipyramid, and  an edgeedge with one Mn(9)As5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-50°. In the twenty-second Mn site, Mn(22) is bonded in a 4-coordinate geometry to one As(12), one As(16), one As(5), and one As(6) atom. In the twenty-third Mn site, Mn(23) is bonded in a 4-coordinate geometry to one As(11), one As(15), one As(5), and one As(6) atom. There are sixteen inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(11), one Mn(12), one Mn(13), one Mn(3), one Mn(4), and one Mn(7) atom. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Mn(11), one Mn(12), one Mn(14), one Mn(2), one Mn(3), one Mn(4), and one Mn(8) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(13), one Mn(2), one Mn(3), one Mn(5), and one Mn(9) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(14), one Mn(2), one Mn(4), one Mn(6), and one Mn(9) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Mn(12), one Mn(13), one Mn(14), one Mn(22), one Mn(23), one Mn(3), one Mn(4), and one Mn(7) atom. In the sixth As site, As(6) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(13), one Mn(14), one Mn(22), one Mn(23), one Mn(3), one Mn(4), and one Mn(8) atom. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(10), one Mn(13), one Mn(14), one Mn(2), one Mn(21), and one Mn(5) atom. In the eighth As site, As(8) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(13), one Mn(14), one Mn(2), one Mn(21), one Mn(6), and one Mn(9) atom. In the ninth As site, As(9) is bonded in a 8-coordinate geometry to one Mn(10), one Mn(15), one Mn(16), one Mn(19), one Mn(20), one Mn(21), one Mn(5), and one Mn(9) atom. In the tenth As site, As(10) is bonded to one Mn(10), one Mn(15), one Mn(16), one Mn(19), one Mn(20), one Mn(6), and one Mn(9) atom to form distorted edge-sharing AsMn7 pentagonal bipyramids. In the eleventh As site, As(11) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(12), one Mn(17), one Mn(18), one Mn(19), one Mn(20), one Mn(23), and one Mn(7) atom. In the twelfth As site, As(12) is bonded in a 8-coordinate geometry to one Mn(11), one Mn(12), one Mn(17), one Mn(18), one Mn(19), one Mn(20), one Mn(22), and one Mn(8) atom. In the thirteenth As site, As(13) is bonded in a 7-coordinate geometry to one Mn(15), one Mn(16), one Mn(18), one Mn(20), one Mn(21), one Mn(5), and one Mn(6) atom. In the fourteenth As site, As(14) is bonded to one Mn(15), one Mn(16), one Mn(17), one Mn(19), one Mn(5), and one Mn(6) atom to form distorted edge-sharing AsMn6 pentagonal pyramids. In the fifteenth As site, As(15) is bonded in a 7-coordinate geometry to one Mn(16), one Mn(17), one Mn(18), one Mn(20), one Mn(23), one Mn(7), and one Mn(8) atom. In the sixteenth As site, As(16) is bonded in a 7-coordinate geometry to one Mn(15), one Mn(17), one Mn(18), one Mn(19), one Mn(22), one Mn(7), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn23As16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   7.015
_cell_length_c   12.854
_cell_angle_alpha   82.156
_cell_angle_beta   82.280
_cell_angle_gamma   104.929
_symmetry_Int_Tables_number   1
_cell_volume   570.718
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.864  0.067  0.597  1.0
  Mn  Mn1  1  0.870  0.568  0.593  1.0
  Mn  Mn2  1  0.129  0.932  0.408  1.0
  Mn  Mn3  1  0.130  0.432  0.409  1.0
  Mn  Mn4  1  0.859  0.773  0.767  1.0
  Mn  Mn5  1  0.861  0.273  0.767  1.0
  Mn  Mn6  1  0.145  0.230  0.232  1.0
  Mn  Mn7  1  0.146  0.727  0.231  1.0
  Mn  Mn8  1  0.211  0.122  0.720  1.0
  Mn  Mn9  1  0.209  0.621  0.720  1.0
  Mn  Mn10  1  0.776  0.874  0.283  1.0
  Mn  Mn11  1  0.777  0.374  0.283  1.0
  Mn  Mn12  1  0.505  0.999  0.510  1.0
  Mn  Mn13  1  0.503  0.502  0.504  1.0
  Mn  Mn14  1  0.429  0.619  0.902  1.0
  Mn  Mn15  1  0.430  0.144  0.904  1.0
  Mn  Mn16  1  0.578  0.373  0.083  1.0
  Mn  Mn17  1  0.575  0.871  0.088  1.0
  Mn  Mn18  1  0.996  0.498  1.000  1.0
  Mn  Mn19  1  0.997  0.000  0.999  1.0
  Mn  Mn20  1  0.524  0.943  0.752  1.0
  Mn  Mn21  1  0.477  0.556  0.246  1.0
  Mn  Mn22  1  0.476  0.060  0.245  1.0
  As  As23  1  0.870  0.117  0.406  1.0
  As  As24  1  0.873  0.618  0.403  1.0
  As  As25  1  0.129  0.883  0.596  1.0
  As  As26  1  0.131  0.381  0.597  1.0
  As  As27  1  0.403  0.256  0.376  1.0
  As  As28  1  0.403  0.759  0.375  1.0
  As  As29  1  0.592  0.727  0.637  1.0
  As  As30  1  0.593  0.251  0.638  1.0
  As  As31  1  0.175  0.827  0.864  1.0
  As  As32  1  0.173  0.328  0.864  1.0
  As  As33  1  0.825  0.174  0.134  1.0
  As  As34  1  0.825  0.671  0.134  1.0
  As  As35  1  0.703  0.952  0.898  1.0
  As  As36  1  0.710  0.454  0.891  1.0
  As  As37  1  0.296  0.051  0.097  1.0
  As  As38  1  0.299  0.548  0.096  1.0
[/CIF]
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