The compound described by CaMn2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the second Ca site, Ca(2) is bonded to one O(14); one O(3); and two equivalent O(11,15) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the third Ca site, Ca(3) is bonded to one O(13); one O(5); one O(7); one O(9); and two equivalent O(11,15) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(5); and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10); one O(2); one O(3); one O(6); and two equivalent O(11,15) atoms to form MnO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(7); and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(3), one Mn(1), one Mn(3), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(8)CaMn3 trigonal pyramid;  a cornercorner with one O(9)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(7)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(4), one Mn(2), one Mn(4), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(16)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(10)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(3), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share corners with four equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with three equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(4), one Mn(2), one Mn(6), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(12)Ca2Mn2 tetrahedra, corners with two equivalent O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with three equivalent O(14)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(3), one Mn(3), one Mn(5), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(8)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(7)CaMn3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ca(4), one Mn(4), one Mn(6), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(6)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(6)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the eleventh O site, O(11,15) is bonded to one Ca(2), one Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(14)Ca2Mn2 trigonal pyramid;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with two equivalent O(7)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids;  an edgeedge with one O(11,15)Ca2Mn2 tetrahedra; and  an edgeedge with one O(13)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Mn(3), and one Mn(6) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(16)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(5) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(5)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids; corners with three equivalent O(7)CaMn3 trigonal pyramids; and edges with two equivalent O(11,15)Ca2Mn2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(2), one Ca(4), one Mn(2), and one Mn(6) atom to form distorted OCa2Mn2 trigonal pyramids that share corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(10)CaMn3 trigonal pyramids; corners with two equivalent O(6)CaMn3 trigonal pyramids; corners with three equivalent O(8)CaMn3 trigonal pyramids;  an edgeedge with one O(12)Ca2Mn2 tetrahedra; and  an edgeedge with one O(16)Ca2Mn2 tetrahedra. In the fifteenth O site, O(16) is bonded to one Ca(1), one Ca(4), one Mn(2), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(12)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. is represented by the CIF card [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   6.214
_cell_length_c   6.347
_cell_angle_alpha   118.240
_cell_angle_beta   91.754
_cell_angle_gamma   119.029
_symmetry_Int_Tables_number   1
_cell_volume   177.646
_cell_formula_units_Z   2
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  0.005  0.027  0.033  1.0
  Ca  Ca1  1  0.625  0.248  0.873  1.0
  Mn  Mn2  1  0.628  0.256  0.379  1.0
  Mn  Mn3  1  0.625  0.747  0.372  1.0
  Mn  Mn4  1  0.123  0.751  0.379  1.0
  Mn  Mn5  1  0.246  0.473  0.719  1.0
  O  O6  1  0.397  0.729  0.125  1.0
  O  O7  1  0.846  0.760  0.607  1.0
  O  O8  1  0.829  0.194  0.570  1.0
  O  O9  1  0.367  0.188  0.555  1.0
  O  O10  1  0.376  0.741  0.570  1.0
  O  O11  1  0.867  0.746  0.184  1.0
  O  O12  1  0.878  0.324  0.202  1.0
  O  O13  1  0.437  0.317  0.184  1.0
[/CIF]
.
The compound described by CaMn2O4 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the second Ca site, Ca(2) is bonded to one O(14); one O(3); and two equivalent O(11,15) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-74°. In the third Ca site, Ca(3) is bonded to one O(13); one O(5); one O(7); one O(9); and two equivalent O(11,15) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(5); and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10); one O(2); one O(3); one O(6); and two equivalent O(11,15) atoms to form MnO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1); one O(11,15); one O(13); one O(3); one O(7); and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(7)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Mn(8)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(6), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(3), one Mn(1), one Mn(3), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(8)CaMn3 trigonal pyramid;  a cornercorner with one O(9)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(7)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ca(4), one Mn(2), one Mn(4), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(16)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(10)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(3), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share corners with four equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with three equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(9)CaMn3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(4), one Mn(2), one Mn(6), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(12)Ca2Mn2 tetrahedra, corners with two equivalent O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with three equivalent O(14)Ca2Mn2 trigonal pyramids,  an edgeedge with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(6)CaMn3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(3), one Mn(3), one Mn(5), and one Mn(8) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with three equivalent O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(8)CaMn3 trigonal pyramid; corners with two equivalent O(13)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(5)CaMn3 trigonal pyramid; and  an edgeedge with one O(7)CaMn3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ca(4), one Mn(4), one Mn(6), and one Mn(7) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(6)CaMn3 trigonal pyramid;  a cornercorner with one O(7)CaMn3 trigonal pyramid; corners with two equivalent O(14)Ca2Mn2 trigonal pyramids;  an edgeedge with one O(6)CaMn3 trigonal pyramid; and  an edgeedge with one O(8)CaMn3 trigonal pyramid. In the eleventh O site, O(11,15) is bonded to one Ca(2), one Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11,15)Ca2Mn2 tetrahedra;  a cornercorner with one O(14)Ca2Mn2 trigonal pyramid;  a cornercorner with one O(10)CaMn3 trigonal pyramid;  a cornercorner with one O(5)CaMn3 trigonal pyramid;  a cornercorner with one O(6)CaMn3 trigonal pyramid; corners with two equivalent O(7)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids;  an edgeedge with one O(11,15)Ca2Mn2 tetrahedra; and  an edgeedge with one O(13)Ca2Mn2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Mn(3), and one Mn(6) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(16)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(6)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(16)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(5) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra;  a cornercorner with one O(16)Ca2Mn2 tetrahedra; corners with two equivalent O(5)CaMn3 trigonal pyramids; corners with two equivalent O(9)CaMn3 trigonal pyramids; corners with three equivalent O(7)CaMn3 trigonal pyramids; and edges with two equivalent O(11,15)Ca2Mn2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Ca(2), one Ca(4), one Mn(2), and one Mn(6) atom to form distorted OCa2Mn2 trigonal pyramids that share corners with two equivalent O(11,15)Ca2Mn2 tetrahedra; corners with two equivalent O(10)CaMn3 trigonal pyramids; corners with two equivalent O(6)CaMn3 trigonal pyramids; corners with three equivalent O(8)CaMn3 trigonal pyramids;  an edgeedge with one O(12)Ca2Mn2 tetrahedra; and  an edgeedge with one O(16)Ca2Mn2 tetrahedra. In the fifteenth O site, O(16) is bonded to one Ca(1), one Ca(4), one Mn(2), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(12)Ca2Mn2 tetrahedra,  a cornercorner with one O(13)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid,  a cornercorner with one O(5)CaMn3 trigonal pyramid,  a cornercorner with one O(9)CaMn3 trigonal pyramid, corners with two equivalent O(6)CaMn3 trigonal pyramids, corners with two equivalent O(8)CaMn3 trigonal pyramids,  an edgeedge with one O(12)Ca2Mn2 tetrahedra, and  an edgeedge with one O(14)Ca2Mn2 trigonal pyramid. is represented by the CIF card [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   6.214
_cell_length_c   6.347
_cell_angle_alpha   118.240
_cell_angle_beta   91.754
_cell_angle_gamma   119.029
_symmetry_Int_Tables_number   1
_cell_volume   177.646
_cell_formula_units_Z   2
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  0.005  0.027  0.033  1.0
  Ca  Ca1  1  0.625  0.248  0.873  1.0
  Mn  Mn2  1  0.628  0.256  0.379  1.0
  Mn  Mn3  1  0.625  0.747  0.372  1.0
  Mn  Mn4  1  0.123  0.751  0.379  1.0
  Mn  Mn5  1  0.246  0.473  0.719  1.0
  O  O6  1  0.397  0.729  0.125  1.0
  O  O7  1  0.846  0.760  0.607  1.0
  O  O8  1  0.829  0.194  0.570  1.0
  O  O9  1  0.367  0.188  0.555  1.0
  O  O10  1  0.376  0.741  0.570  1.0
  O  O11  1  0.867  0.746  0.184  1.0
  O  O12  1  0.878  0.324  0.202  1.0
  O  O13  1  0.437  0.317  0.184  1.0
[/CIF]
.