The crystal structure described by CaCr2(CuO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form CrO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-60°. In the second Cr site, Cr(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form CrO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-64°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Cu(1) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(2), and one Cu(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Cr(2), and one Cu(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Cu(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCr2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   6.649
_cell_length_c   12.340
_cell_angle_alpha   86.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.990
_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  0.167  0.128  0.043  1.0
  Ca  Ca1  1  0.833  0.872  0.957  1.0
  Ca  Ca2  1  0.667  0.872  0.457  1.0
  Ca  Ca3  1  0.333  0.128  0.543  1.0
  Cr  Cr4  1  0.462  0.100  0.845  1.0
  Cr  Cr5  1  0.038  0.100  0.345  1.0
  Cr  Cr6  1  0.085  0.606  0.136  1.0
  Cr  Cr7  1  0.962  0.900  0.655  1.0
  Cr  Cr8  1  0.915  0.394  0.864  1.0
  Cr  Cr9  1  0.585  0.394  0.364  1.0
  Cr  Cr10  1  0.415  0.606  0.636  1.0
  Cr  Cr11  1  0.538  0.900  0.155  1.0
  Cu  Cu12  1  0.185  0.761  0.857  1.0
  Cu  Cu13  1  0.049  0.392  0.629  1.0
  Cu  Cu14  1  0.951  0.608  0.371  1.0
  Cu  Cu15  1  0.815  0.239  0.143  1.0
  Cu  Cu16  1  0.315  0.761  0.357  1.0
  Cu  Cu17  1  0.451  0.392  0.129  1.0
  Cu  Cu18  1  0.685  0.239  0.643  1.0
  Cu  Cu19  1  0.549  0.608  0.871  1.0
  O  O20  1  0.220  0.024  0.381  1.0
  O  O21  1  0.001  0.680  0.600  1.0
  O  O22  1  0.581  0.199  0.461  1.0
  O  O23  1  0.081  0.801  0.039  1.0
  O  O24  1  0.280  0.024  0.881  1.0
  O  O25  1  0.780  0.976  0.619  1.0
  O  O26  1  0.086  0.088  0.613  1.0
  O  O27  1  0.909  0.503  0.135  1.0
  O  O28  1  0.591  0.503  0.635  1.0
  O  O29  1  0.876  0.320  0.737  1.0
  O  O30  1  0.376  0.680  0.763  1.0
  O  O31  1  0.091  0.497  0.865  1.0
  O  O32  1  0.914  0.912  0.387  1.0
  O  O33  1  0.523  0.871  0.291  1.0
  O  O34  1  0.276  0.441  0.601  1.0
  O  O35  1  0.224  0.441  0.101  1.0
  O  O36  1  0.023  0.129  0.209  1.0
  O  O37  1  0.409  0.497  0.365  1.0
  O  O38  1  0.477  0.129  0.709  1.0
  O  O39  1  0.419  0.801  0.539  1.0
  O  O40  1  0.499  0.680  0.100  1.0
  O  O41  1  0.124  0.680  0.263  1.0
  O  O42  1  0.720  0.976  0.119  1.0
  O  O43  1  0.414  0.088  0.113  1.0
  O  O44  1  0.919  0.199  0.961  1.0
  O  O45  1  0.776  0.559  0.899  1.0
  O  O46  1  0.999  0.320  0.400  1.0
  O  O47  1  0.501  0.320  0.900  1.0
  O  O48  1  0.586  0.912  0.887  1.0
  O  O49  1  0.724  0.559  0.399  1.0
  O  O50  1  0.624  0.320  0.237  1.0
  O  O51  1  0.977  0.871  0.791  1.0
[/CIF]
.
The crystal structure described by CaCr2(CuO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with three equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form CrO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-60°. In the second Cr site, Cr(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form CrO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-64°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Cu(1) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(2), and one Cu(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Cr(2), and one Cu(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Cu(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCr2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   6.649
_cell_length_c   12.340
_cell_angle_alpha   86.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.990
_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  0.167  0.128  0.043  1.0
  Ca  Ca1  1  0.833  0.872  0.957  1.0
  Ca  Ca2  1  0.667  0.872  0.457  1.0
  Ca  Ca3  1  0.333  0.128  0.543  1.0
  Cr  Cr4  1  0.462  0.100  0.845  1.0
  Cr  Cr5  1  0.038  0.100  0.345  1.0
  Cr  Cr6  1  0.085  0.606  0.136  1.0
  Cr  Cr7  1  0.962  0.900  0.655  1.0
  Cr  Cr8  1  0.915  0.394  0.864  1.0
  Cr  Cr9  1  0.585  0.394  0.364  1.0
  Cr  Cr10  1  0.415  0.606  0.636  1.0
  Cr  Cr11  1  0.538  0.900  0.155  1.0
  Cu  Cu12  1  0.185  0.761  0.857  1.0
  Cu  Cu13  1  0.049  0.392  0.629  1.0
  Cu  Cu14  1  0.951  0.608  0.371  1.0
  Cu  Cu15  1  0.815  0.239  0.143  1.0
  Cu  Cu16  1  0.315  0.761  0.357  1.0
  Cu  Cu17  1  0.451  0.392  0.129  1.0
  Cu  Cu18  1  0.685  0.239  0.643  1.0
  Cu  Cu19  1  0.549  0.608  0.871  1.0
  O  O20  1  0.220  0.024  0.381  1.0
  O  O21  1  0.001  0.680  0.600  1.0
  O  O22  1  0.581  0.199  0.461  1.0
  O  O23  1  0.081  0.801  0.039  1.0
  O  O24  1  0.280  0.024  0.881  1.0
  O  O25  1  0.780  0.976  0.619  1.0
  O  O26  1  0.086  0.088  0.613  1.0
  O  O27  1  0.909  0.503  0.135  1.0
  O  O28  1  0.591  0.503  0.635  1.0
  O  O29  1  0.876  0.320  0.737  1.0
  O  O30  1  0.376  0.680  0.763  1.0
  O  O31  1  0.091  0.497  0.865  1.0
  O  O32  1  0.914  0.912  0.387  1.0
  O  O33  1  0.523  0.871  0.291  1.0
  O  O34  1  0.276  0.441  0.601  1.0
  O  O35  1  0.224  0.441  0.101  1.0
  O  O36  1  0.023  0.129  0.209  1.0
  O  O37  1  0.409  0.497  0.365  1.0
  O  O38  1  0.477  0.129  0.709  1.0
  O  O39  1  0.419  0.801  0.539  1.0
  O  O40  1  0.499  0.680  0.100  1.0
  O  O41  1  0.124  0.680  0.263  1.0
  O  O42  1  0.720  0.976  0.119  1.0
  O  O43  1  0.414  0.088  0.113  1.0
  O  O44  1  0.919  0.199  0.961  1.0
  O  O45  1  0.776  0.559  0.899  1.0
  O  O46  1  0.999  0.320  0.400  1.0
  O  O47  1  0.501  0.320  0.900  1.0
  O  O48  1  0.586  0.912  0.887  1.0
  O  O49  1  0.724  0.559  0.399  1.0
  O  O50  1  0.624  0.320  0.237  1.0
  O  O51  1  0.977  0.871  0.791  1.0
[/CIF]
.