The crystal structure described by CaMn2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-73°. In the second Ca site, Ca(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, and corners with three equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-75°. In the third Ca site, Ca(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(18), one O(19), and one O(7) atom to form distorted CaO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the fifth Ca site, Ca(5) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, and corners with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-71°. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), one O(17), one O(20), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form distorted MnO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(17), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(11)O6 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(15), one O(17), one O(20), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the tenth Mn site, Mn(10) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the eleventh Mn site, Mn(11) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the twelfth Mn site, Mn(12) is bonded to one O(21), one O(22), one O(24), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Ca(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(5), one Mn(2), and one Mn(4) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid, corners with two equivalent O(12)CaMn3 trigonal pyramids,  an edgeedge with one O(3)Ca2Mn2 tetrahedra, and  an edgeedge with one O(4)Ca2Mn2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(5), one Mn(1), and one Mn(4) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(4)Ca2Mn2 tetrahedra, and  an edgeedge with one O(1)Ca2Mn2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(5), one Mn(1), and one Mn(2) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids,  an edgeedge with one O(3)Ca2Mn2 tetrahedra, and  an edgeedge with one O(1)Ca2Mn2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(3), one Mn(5), and one Mn(9) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra, corners with two equivalent O(20)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(11)Ca2Mn2 tetrahedra, and  an edgeedge with one O(10)Ca2Mn2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(3), one Mn(1), one Mn(2), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 tetrahedra, corners with two equivalent O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid, and  an edgeedge with one O(12)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(3), one Mn(5), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Mn(1), one Mn(4), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(2), and one Mn(4) atom. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(3), one Mn(3), and one Mn(9) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra, corners with two equivalent O(15)CaMn3 tetrahedra,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(11)Ca2Mn2 tetrahedra, and  an edgeedge with one O(5)Ca2Mn2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mn(3), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra, corners with two equivalent O(14)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(10)Ca2Mn2 trigonal pyramid, and  an edgeedge with one O(5)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(3), one Mn(2), one Mn(4), and one Mn(7) atom to form OCaMn3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid, corners with two equivalent O(1)Ca2Mn2 trigonal pyramids, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(4), one Mn(10), one Mn(11), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(6), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra, corners with two equivalent O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  an edgeedge with one O(15)CaMn3 tetrahedra, and  an edgeedge with one O(20)CaMn3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Ca(6), one Mn(3), one Mn(6), and one Mn(9) atom to form OCaMn3 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid, corners with two equivalent O(10)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(14)CaMn3 tetrahedra, and  an edgeedge with one O(20)CaMn3 tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(10), one Mn(11), and one Mn(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(7), and one Mn(9) atom. In the eighteenth O site, O(18) is bonded to one Ca(4), one Mn(11), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Ca(4), one Mn(10), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the twentieth O site, O(20) is bonded to one Ca(6), one Mn(5), one Mn(6), and one Mn(9) atom to form OCaMn3 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid, corners with two equivalent O(5)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(14)CaMn3 tetrahedra, and  an edgeedge with one O(15)CaMn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Ca(5), one Mn(10), one Mn(12), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra, corners with two equivalent O(19)CaMn3 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  an edgeedge with one O(23)CaMn3 tetrahedra, and  an edgeedge with one O(22)CaMn3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Ca(5), one Mn(11), one Mn(12), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra, corners with two equivalent O(18)CaMn3 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  an edgeedge with one O(23)CaMn3 tetrahedra, and  an edgeedge with one O(21)CaMn3 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Ca(6), one Mn(10), one Mn(11), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(5), one Mn(10), one Mn(11), and one Mn(12) atom. is represented by the CIF card [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.473
_cell_length_c   15.566
_cell_angle_alpha   93.849
_cell_angle_beta   90.191
_cell_angle_gamma   117.812
_symmetry_Int_Tables_number   1
_cell_volume   537.894
_cell_formula_units_Z   6
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
  Ca  Ca0  1  0.339  0.171  0.950  1.0
  Ca  Ca1  1  0.001  0.487  0.616  1.0
  Ca  Ca2  1  0.665  0.830  0.665  1.0
  Ca  Ca3  1  0.665  0.822  0.275  1.0
  Ca  Ca4  1  0.010  0.518  0.006  1.0
  Ca  Ca5  1  0.992  0.492  0.380  1.0
  Mn  Mn6  1  0.332  0.664  0.834  1.0
  Mn  Mn7  1  0.835  0.668  0.834  1.0
  Mn  Mn8  1  0.992  0.982  0.498  1.0
  Mn  Mn9  1  0.837  0.179  0.832  1.0
  Mn  Mn10  1  0.492  0.988  0.496  1.0
  Mn  Mn11  1  0.328  0.159  0.335  1.0
  Mn  Mn12  1  0.324  0.164  0.719  1.0
  Mn  Mn13  1  0.668  0.338  0.169  1.0
  Mn  Mn14  1  0.499  0.498  0.490  1.0
  Mn  Mn15  1  0.170  0.338  0.169  1.0
  Mn  Mn16  1  0.178  0.853  0.173  1.0
  Mn  Mn17  1  0.675  0.846  0.048  1.0
  O  O18  1  0.709  0.379  0.893  1.0
  O  O19  1  0.014  0.535  0.760  1.0
  O  O20  1  0.141  0.343  0.900  1.0
  O  O21  1  0.146  0.792  0.904  1.0
  O  O22  1  0.361  0.675  0.552  1.0
  O  O23  1  0.515  0.532  0.759  1.0
  O  O24  1  0.699  0.833  0.420  1.0
  O  O25  1  0.525  0.009  0.764  1.0
  O  O26  1  0.653  0.799  0.910  1.0
  O  O27  1  0.826  0.683  0.553  1.0
  O  O28  1  0.805  0.112  0.563  1.0
  O  O29  1  0.971  0.972  0.773  1.0
  O  O30  1  0.056  0.029  0.250  1.0
  O  O31  1  0.187  0.874  0.427  1.0
  O  O32  1  0.173  0.280  0.428  1.0
  O  O33  1  0.352  0.204  0.099  1.0
  O  O34  1  0.278  0.126  0.582  1.0
  O  O35  1  0.473  0.027  0.253  1.0
  O  O36  1  0.472  0.442  0.249  1.0
  O  O37  1  0.606  0.286  0.428  1.0
  O  O38  1  0.849  0.202  0.095  1.0
  O  O39  1  0.859  0.694  0.107  1.0
  O  O40  1  0.990  0.479  0.237  1.0
  O  O41  1  0.337  0.695  0.106  1.0
[/CIF]
.
The crystal structure described by CaMn2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-73°. In the second Ca site, Ca(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, and corners with three equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-75°. In the third Ca site, Ca(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(18), one O(19), and one O(7) atom to form distorted CaO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the fifth Ca site, Ca(5) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form CaO4 tetrahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, and corners with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-71°. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(12)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), one O(17), one O(20), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form distorted MnO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(17), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(11)O6 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(15), one O(17), one O(20), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the tenth Mn site, Mn(10) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the eleventh Mn site, Mn(11) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the twelfth Mn site, Mn(12) is bonded to one O(21), one O(22), one O(24), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Ca(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(5), one Mn(2), and one Mn(4) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid, corners with two equivalent O(12)CaMn3 trigonal pyramids,  an edgeedge with one O(3)Ca2Mn2 tetrahedra, and  an edgeedge with one O(4)Ca2Mn2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(5), one Mn(1), and one Mn(4) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(4)Ca2Mn2 tetrahedra, and  an edgeedge with one O(1)Ca2Mn2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(5), one Mn(1), and one Mn(2) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids,  an edgeedge with one O(3)Ca2Mn2 tetrahedra, and  an edgeedge with one O(1)Ca2Mn2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(2), one Ca(3), one Mn(5), and one Mn(9) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra, corners with two equivalent O(20)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(11)Ca2Mn2 tetrahedra, and  an edgeedge with one O(10)Ca2Mn2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(3), one Mn(1), one Mn(2), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 tetrahedra, corners with two equivalent O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid, and  an edgeedge with one O(12)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(3), one Mn(5), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Mn(1), one Mn(4), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(2), and one Mn(4) atom. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(3), one Mn(3), and one Mn(9) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra, corners with two equivalent O(15)CaMn3 tetrahedra,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(11)Ca2Mn2 tetrahedra, and  an edgeedge with one O(5)Ca2Mn2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mn(3), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra, corners with two equivalent O(14)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(12)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  an edgeedge with one O(10)Ca2Mn2 trigonal pyramid, and  an edgeedge with one O(5)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(3), one Mn(2), one Mn(4), and one Mn(7) atom to form OCaMn3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid, corners with two equivalent O(1)Ca2Mn2 trigonal pyramids, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(4), one Mn(10), one Mn(11), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(6), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra, corners with two equivalent O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid,  an edgeedge with one O(15)CaMn3 tetrahedra, and  an edgeedge with one O(20)CaMn3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Ca(6), one Mn(3), one Mn(6), and one Mn(9) atom to form OCaMn3 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(20)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra,  a cornercorner with one O(5)Ca2Mn2 trigonal pyramid, corners with two equivalent O(10)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(14)CaMn3 tetrahedra, and  an edgeedge with one O(20)CaMn3 tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(10), one Mn(11), and one Mn(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(7), and one Mn(9) atom. In the eighteenth O site, O(18) is bonded to one Ca(4), one Mn(11), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Ca(4), one Mn(10), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the twentieth O site, O(20) is bonded to one Ca(6), one Mn(5), one Mn(6), and one Mn(9) atom to form OCaMn3 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(14)CaMn3 tetrahedra,  a cornercorner with one O(15)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra,  a cornercorner with one O(23)CaMn3 tetrahedra,  a cornercorner with one O(10)Ca2Mn2 trigonal pyramid, corners with two equivalent O(5)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(14)CaMn3 tetrahedra, and  an edgeedge with one O(15)CaMn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Ca(5), one Mn(10), one Mn(12), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(18)CaMn3 tetrahedra, corners with two equivalent O(19)CaMn3 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid,  an edgeedge with one O(23)CaMn3 tetrahedra, and  an edgeedge with one O(22)CaMn3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Ca(5), one Mn(11), one Mn(12), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(3)Ca2Mn2 tetrahedra,  a cornercorner with one O(4)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)CaMn3 tetrahedra,  a cornercorner with one O(19)CaMn3 tetrahedra, corners with two equivalent O(18)CaMn3 tetrahedra,  a cornercorner with one O(1)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(21)CaMn3 trigonal pyramid,  an edgeedge with one O(23)CaMn3 tetrahedra, and  an edgeedge with one O(21)CaMn3 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Ca(6), one Mn(10), one Mn(11), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OCaMn3 tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(5), one Mn(10), one Mn(11), and one Mn(12) atom. is represented by the CIF card [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.473
_cell_length_c   15.566
_cell_angle_alpha   93.849
_cell_angle_beta   90.191
_cell_angle_gamma   117.812
_symmetry_Int_Tables_number   1
_cell_volume   537.894
_cell_formula_units_Z   6
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
  Ca  Ca0  1  0.339  0.171  0.950  1.0
  Ca  Ca1  1  0.001  0.487  0.616  1.0
  Ca  Ca2  1  0.665  0.830  0.665  1.0
  Ca  Ca3  1  0.665  0.822  0.275  1.0
  Ca  Ca4  1  0.010  0.518  0.006  1.0
  Ca  Ca5  1  0.992  0.492  0.380  1.0
  Mn  Mn6  1  0.332  0.664  0.834  1.0
  Mn  Mn7  1  0.835  0.668  0.834  1.0
  Mn  Mn8  1  0.992  0.982  0.498  1.0
  Mn  Mn9  1  0.837  0.179  0.832  1.0
  Mn  Mn10  1  0.492  0.988  0.496  1.0
  Mn  Mn11  1  0.328  0.159  0.335  1.0
  Mn  Mn12  1  0.324  0.164  0.719  1.0
  Mn  Mn13  1  0.668  0.338  0.169  1.0
  Mn  Mn14  1  0.499  0.498  0.490  1.0
  Mn  Mn15  1  0.170  0.338  0.169  1.0
  Mn  Mn16  1  0.178  0.853  0.173  1.0
  Mn  Mn17  1  0.675  0.846  0.048  1.0
  O  O18  1  0.709  0.379  0.893  1.0
  O  O19  1  0.014  0.535  0.760  1.0
  O  O20  1  0.141  0.343  0.900  1.0
  O  O21  1  0.146  0.792  0.904  1.0
  O  O22  1  0.361  0.675  0.552  1.0
  O  O23  1  0.515  0.532  0.759  1.0
  O  O24  1  0.699  0.833  0.420  1.0
  O  O25  1  0.525  0.009  0.764  1.0
  O  O26  1  0.653  0.799  0.910  1.0
  O  O27  1  0.826  0.683  0.553  1.0
  O  O28  1  0.805  0.112  0.563  1.0
  O  O29  1  0.971  0.972  0.773  1.0
  O  O30  1  0.056  0.029  0.250  1.0
  O  O31  1  0.187  0.874  0.427  1.0
  O  O32  1  0.173  0.280  0.428  1.0
  O  O33  1  0.352  0.204  0.099  1.0
  O  O34  1  0.278  0.126  0.582  1.0
  O  O35  1  0.473  0.027  0.253  1.0
  O  O36  1  0.472  0.442  0.249  1.0
  O  O37  1  0.606  0.286  0.428  1.0
  O  O38  1  0.849  0.202  0.095  1.0
  O  O39  1  0.859  0.694  0.107  1.0
  O  O40  1  0.990  0.479  0.237  1.0
  O  O41  1  0.337  0.695  0.106  1.0
[/CIF]
.