The structure described by CaMn2O4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CaO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  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(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Ca(1)O6 pentagonal pyramid. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and  an edgeedge with one Ca(1)O6 pentagonal pyramid. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Mn(6)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Mn(4)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OCaMn3 trigonal pyramids that share  a cornercorner with one O(5)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(6)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(7)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(8)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(2)CaMn3 trigonal pyramids, edges with two equivalent O(6)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(8)Ca2Mn3 trigonal bipyramids. 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(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(5)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(6)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(7)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(5)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(8)Ca2Mn3 trigonal bipyramid, and edges with two equivalent O(7)Ca2Mn3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Mn(4), and two equivalent Mn(2) atoms to form OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(6)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(5)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(8)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(6)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(7)Ca2Mn3 trigonal bipyramid, edges with two equivalent O(8)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(2)CaMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Mn(5), and two equivalent Mn(1) atoms to form OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(7)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(5)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(8)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(6)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(7)Ca2Mn3 trigonal bipyramid, and edges with two equivalent O(5)Ca2Mn3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Mn(6), and two equivalent Mn(2) atoms to form distorted OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(8)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(6)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(7)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(5)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(8)Ca2Mn3 trigonal bipyramid, edges with two equivalent O(6)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(2)CaMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   6.213
_cell_length_c   11.179
_cell_angle_alpha   90.158
_cell_angle_beta   90.170
_cell_angle_gamma   92.957
_symmetry_Int_Tables_number   1
_cell_volume   358.158
_cell_formula_units_Z   4
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  0.132  0.768  0.751  1.0
  Ca  Ca1  1  0.868  0.232  0.249  1.0
  Ca  Ca2  1  0.494  0.717  0.249  1.0
  Ca  Ca3  1  0.506  0.283  0.751  1.0
  Mn  Mn4  1  0.497  0.247  0.486  1.0
  Mn  Mn5  1  0.493  0.247  0.014  1.0
  Mn  Mn6  1  0.503  0.753  0.514  1.0
  Mn  Mn7  1  0.507  0.753  0.986  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.169  0.224  0.401  1.0
  O  O13  1  0.168  0.285  0.097  1.0
  O  O14  1  0.831  0.776  0.599  1.0
  O  O15  1  0.832  0.715  0.903  1.0
  O  O16  1  0.800  0.278  0.589  1.0
  O  O17  1  0.797  0.224  0.913  1.0
  O  O18  1  0.200  0.722  0.411  1.0
  O  O19  1  0.203  0.776  0.087  1.0
  O  O20  1  0.315  0.526  0.609  1.0
  O  O21  1  0.309  0.037  0.898  1.0
  O  O22  1  0.680  0.970  0.398  1.0
  O  O23  1  0.679  0.469  0.108  1.0
  O  O24  1  0.685  0.474  0.391  1.0
  O  O25  1  0.691  0.963  0.102  1.0
  O  O26  1  0.320  0.030  0.602  1.0
  O  O27  1  0.321  0.531  0.892  1.0
[/CIF]
.
The structure described by CaMn2O4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CaO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  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(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Ca(1)O6 pentagonal pyramid. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and  an edgeedge with one Ca(1)O6 pentagonal pyramid. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Mn(6)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Mn(4)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OCaMn3 trigonal pyramids that share  a cornercorner with one O(5)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(6)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(7)Ca2Mn3 trigonal bipyramid,  a cornercorner with one O(8)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(2)CaMn3 trigonal pyramids, edges with two equivalent O(6)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(8)Ca2Mn3 trigonal bipyramids. 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(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(5)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(6)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(7)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(5)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(8)Ca2Mn3 trigonal bipyramid, and edges with two equivalent O(7)Ca2Mn3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Mn(4), and two equivalent Mn(2) atoms to form OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(6)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(5)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(8)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(6)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(7)Ca2Mn3 trigonal bipyramid, edges with two equivalent O(8)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(2)CaMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Mn(5), and two equivalent Mn(1) atoms to form OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(7)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(5)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(8)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(6)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(7)Ca2Mn3 trigonal bipyramid, and edges with two equivalent O(5)Ca2Mn3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Mn(6), and two equivalent Mn(2) atoms to form distorted OCa2Mn3 trigonal bipyramids that share  a cornercorner with one O(8)Ca2Mn3 trigonal bipyramid, corners with two equivalent O(6)Ca2Mn3 trigonal bipyramids, corners with two equivalent O(7)Ca2Mn3 trigonal bipyramids,  a cornercorner with one O(2)CaMn3 trigonal pyramid,  an edgeedge with one O(5)Ca2Mn3 trigonal bipyramid,  an edgeedge with one O(8)Ca2Mn3 trigonal bipyramid, edges with two equivalent O(6)Ca2Mn3 trigonal bipyramids, and edges with two equivalent O(2)CaMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   6.213
_cell_length_c   11.179
_cell_angle_alpha   90.158
_cell_angle_beta   90.170
_cell_angle_gamma   92.957
_symmetry_Int_Tables_number   1
_cell_volume   358.158
_cell_formula_units_Z   4
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  0.132  0.768  0.751  1.0
  Ca  Ca1  1  0.868  0.232  0.249  1.0
  Ca  Ca2  1  0.494  0.717  0.249  1.0
  Ca  Ca3  1  0.506  0.283  0.751  1.0
  Mn  Mn4  1  0.497  0.247  0.486  1.0
  Mn  Mn5  1  0.493  0.247  0.014  1.0
  Mn  Mn6  1  0.503  0.753  0.514  1.0
  Mn  Mn7  1  0.507  0.753  0.986  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.169  0.224  0.401  1.0
  O  O13  1  0.168  0.285  0.097  1.0
  O  O14  1  0.831  0.776  0.599  1.0
  O  O15  1  0.832  0.715  0.903  1.0
  O  O16  1  0.800  0.278  0.589  1.0
  O  O17  1  0.797  0.224  0.913  1.0
  O  O18  1  0.200  0.722  0.411  1.0
  O  O19  1  0.203  0.776  0.087  1.0
  O  O20  1  0.315  0.526  0.609  1.0
  O  O21  1  0.309  0.037  0.898  1.0
  O  O22  1  0.680  0.970  0.398  1.0
  O  O23  1  0.679  0.469  0.108  1.0
  O  O24  1  0.685  0.474  0.391  1.0
  O  O25  1  0.691  0.963  0.102  1.0
  O  O26  1  0.320  0.030  0.602  1.0
  O  O27  1  0.321  0.531  0.892  1.0
[/CIF]
.