The 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(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Mn(2)O4 tetrahedra, corners with three equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Mn(11)O4 tetrahedra, corners with three equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(5), and one O(9) 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(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the third Mn site, Mn(3) 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 MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(17), 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 Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the tenth Mn site, Mn(10) is bonded to one O(16), one O(17), 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 Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the eleventh Mn site, Mn(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the twelfth Mn site, Mn(12) is bonded to one O(10), one O(21), one O(22), and one O(24) 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(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, and  an edgeedge with one O(3)Ca2Mn2 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), 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(3), one Mn(3), and one Mn(4) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, and  an edgeedge with one O(1)Ca2Mn2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mn(2), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mn(5), one Mn(6), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded to one Ca(3), one Mn(1), one Mn(12), and one Mn(4) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(22)CaMn3 trigonal pyramid, and corners with two equivalent O(3)Ca2Mn2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(2), one Mn(5), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mn(1), and one Mn(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(11), one Mn(5), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mn(11), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mn(10), and one Mn(6) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Ca(6), one Mn(10), and one Mn(8) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid, corners with two equivalent O(22)CaMn3 trigonal pyramids, and corners with three equivalent O(23)CaMn3 trigonal pyramids. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mn(5), one Mn(7), and one Mn(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(10), one Mn(6), and one Mn(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mn(11), and one Mn(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(12), one Mn(3), and one Mn(8) atom. In the twenty-second O site, O(22) is bonded to one Ca(6), one Mn(10), one Mn(12), and one Mn(3) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra, corners with two equivalent O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(23)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 distorted OCaMn3 trigonal pyramids that share corners with three equivalent O(17)Ca2Mn2 tetrahedra and  an edgeedge with one O(22)CaMn3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mn(12), one Mn(3), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.329
_cell_length_c   15.342
_cell_angle_alpha   90.248
_cell_angle_beta   90.997
_cell_angle_gamma   118.862
_symmetry_Int_Tables_number   1
_cell_volume   533.319
_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  0.851  0.183  0.043  1.0
  Ca  Ca1  1  0.155  0.821  0.330  1.0
  Ca  Ca2  1  0.329  0.162  0.165  1.0
  Ca  Ca3  1  0.844  0.177  0.670  1.0
  Ca  Ca4  1  0.001  0.501  0.500  1.0
  Ca  Ca5  1  0.669  0.837  0.836  1.0
  Mn  Mn6  1  0.823  0.656  0.163  1.0
  Mn  Mn7  1  0.511  0.520  0.380  1.0
  Mn  Mn8  1  0.499  0.499  0.001  1.0
  Mn  Mn9  1  0.337  0.665  0.164  1.0
  Mn  Mn10  1  0.500  0.001  0.499  1.0
  Mn  Mn11  1  0.190  0.864  0.711  1.0
  Mn  Mn12  1  0.000  1.000  0.500  1.0
  Mn  Mn13  1  0.174  0.343  0.837  1.0
  Mn  Mn14  1  0.811  0.137  0.289  1.0
  Mn  Mn15  1  0.667  0.338  0.835  1.0
  Mn  Mn16  1  0.489  0.480  0.620  1.0
  Mn  Mn17  1  0.146  0.809  0.959  1.0
  O  O18  1  0.656  0.379  0.081  1.0
  O  O19  1  0.521  0.532  0.237  1.0
  O  O20  1  0.235  0.400  0.081  1.0
  O  O21  1  0.665  0.783  0.077  1.0
  O  O22  1  0.353  0.709  0.427  1.0
  O  O23  1  0.963  0.488  0.233  1.0
  O  O24  1  0.189  0.870  0.573  1.0
  O  O25  1  0.474  0.949  0.236  1.0
  O  O26  1  0.857  0.714  0.426  1.0
  O  O27  1  0.134  0.786  0.095  1.0
  O  O28  1  0.319  0.146  0.429  1.0
  O  O29  1  0.966  0.954  0.230  1.0
  O  O30  1  0.033  0.046  0.769  1.0
  O  O31  1  0.681  0.854  0.571  1.0
  O  O32  1  0.144  0.286  0.573  1.0
  O  O33  1  0.527  0.053  0.763  1.0
  O  O34  1  0.866  0.217  0.898  1.0
  O  O35  1  0.812  0.132  0.427  1.0
  O  O36  1  0.043  0.514  0.763  1.0
  O  O37  1  0.647  0.292  0.572  1.0
  O  O38  1  0.324  0.202  0.927  1.0
  O  O39  1  0.778  0.608  0.922  1.0
  O  O40  1  0.481  0.468  0.766  1.0
  O  O41  1  0.336  0.626  0.922  1.0
[/CIF]
.
The 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(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Mn(2)O4 tetrahedra, corners with three equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form distorted CaO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Mn(11)O4 tetrahedra, corners with three equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(5), and one O(9) 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(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the third Mn site, Mn(3) 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 MnO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mn(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(12)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mn(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(6)O4 tetrahedra,  a cornercorner with one Mn(9)O4 tetrahedra, corners with two equivalent Mn(11)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(17), 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 Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the tenth Mn site, Mn(10) is bonded to one O(16), one O(17), 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 Mn(11)O4 tetrahedra, corners with two equivalent Mn(12)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the eleventh Mn site, Mn(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form MnO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the twelfth Mn site, Mn(12) is bonded to one O(10), one O(21), one O(22), and one O(24) 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(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Mn(1), and one Mn(3) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, and  an edgeedge with one O(3)Ca2Mn2 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), 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(3), one Mn(3), and one Mn(4) atom to form distorted OCa2Mn2 trigonal pyramids that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(22)CaMn3 trigonal pyramid, corners with two equivalent O(10)CaMn3 trigonal pyramids, and  an edgeedge with one O(1)Ca2Mn2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mn(2), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(1), one Mn(4), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mn(5), one Mn(6), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded to one Ca(3), one Mn(1), one Mn(12), and one Mn(4) atom to form distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(22)CaMn3 trigonal pyramid, and corners with two equivalent O(3)Ca2Mn2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mn(2), one Mn(5), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mn(1), and one Mn(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(11), one Mn(5), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mn(11), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mn(10), and one Mn(6) atom. In the seventeenth O site, O(17) is bonded to one Ca(1), one Ca(6), one Mn(10), and one Mn(8) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid, corners with two equivalent O(22)CaMn3 trigonal pyramids, and corners with three equivalent O(23)CaMn3 trigonal pyramids. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mn(5), one Mn(7), and one Mn(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mn(10), one Mn(6), and one Mn(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mn(11), and one Mn(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(12), one Mn(3), and one Mn(8) atom. In the twenty-second O site, O(22) is bonded to one Ca(6), one Mn(10), one Mn(12), and one Mn(3) atom to form distorted OCaMn3 trigonal pyramids that share  a cornercorner with one O(1)Ca2Mn2 tetrahedra, corners with two equivalent O(17)Ca2Mn2 tetrahedra,  a cornercorner with one O(3)Ca2Mn2 trigonal pyramid,  a cornercorner with one O(10)CaMn3 trigonal pyramid, and  an edgeedge with one O(23)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 distorted OCaMn3 trigonal pyramids that share corners with three equivalent O(17)Ca2Mn2 tetrahedra and  an edgeedge with one O(22)CaMn3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mn(12), one Mn(3), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.329
_cell_length_c   15.342
_cell_angle_alpha   90.248
_cell_angle_beta   90.997
_cell_angle_gamma   118.862
_symmetry_Int_Tables_number   1
_cell_volume   533.319
_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  0.851  0.183  0.043  1.0
  Ca  Ca1  1  0.155  0.821  0.330  1.0
  Ca  Ca2  1  0.329  0.162  0.165  1.0
  Ca  Ca3  1  0.844  0.177  0.670  1.0
  Ca  Ca4  1  0.001  0.501  0.500  1.0
  Ca  Ca5  1  0.669  0.837  0.836  1.0
  Mn  Mn6  1  0.823  0.656  0.163  1.0
  Mn  Mn7  1  0.511  0.520  0.380  1.0
  Mn  Mn8  1  0.499  0.499  0.001  1.0
  Mn  Mn9  1  0.337  0.665  0.164  1.0
  Mn  Mn10  1  0.500  0.001  0.499  1.0
  Mn  Mn11  1  0.190  0.864  0.711  1.0
  Mn  Mn12  1  0.000  1.000  0.500  1.0
  Mn  Mn13  1  0.174  0.343  0.837  1.0
  Mn  Mn14  1  0.811  0.137  0.289  1.0
  Mn  Mn15  1  0.667  0.338  0.835  1.0
  Mn  Mn16  1  0.489  0.480  0.620  1.0
  Mn  Mn17  1  0.146  0.809  0.959  1.0
  O  O18  1  0.656  0.379  0.081  1.0
  O  O19  1  0.521  0.532  0.237  1.0
  O  O20  1  0.235  0.400  0.081  1.0
  O  O21  1  0.665  0.783  0.077  1.0
  O  O22  1  0.353  0.709  0.427  1.0
  O  O23  1  0.963  0.488  0.233  1.0
  O  O24  1  0.189  0.870  0.573  1.0
  O  O25  1  0.474  0.949  0.236  1.0
  O  O26  1  0.857  0.714  0.426  1.0
  O  O27  1  0.134  0.786  0.095  1.0
  O  O28  1  0.319  0.146  0.429  1.0
  O  O29  1  0.966  0.954  0.230  1.0
  O  O30  1  0.033  0.046  0.769  1.0
  O  O31  1  0.681  0.854  0.571  1.0
  O  O32  1  0.144  0.286  0.573  1.0
  O  O33  1  0.527  0.053  0.763  1.0
  O  O34  1  0.866  0.217  0.898  1.0
  O  O35  1  0.812  0.132  0.427  1.0
  O  O36  1  0.043  0.514  0.763  1.0
  O  O37  1  0.647  0.292  0.572  1.0
  O  O38  1  0.324  0.202  0.927  1.0
  O  O39  1  0.778  0.608  0.922  1.0
  O  O40  1  0.481  0.468  0.766  1.0
  O  O41  1  0.336  0.626  0.922  1.0
[/CIF]
.