The material structure described by MgCr4(CuO4)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the third Cr site, Cr(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Cu(1) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Cr(2), and one Cr(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Cr(1), one Cr(2), one Cr(3), and one Cu(1) atom to form OMgCr3Cu trigonal bipyramids that share  a cornercorner with one O(2)MgCr3Cu trigonal bipyramid, corners with three equivalent O(4)Cr3Cu trigonal pyramids,  an edgeedge with one O(2)MgCr3Cu trigonal bipyramid, and  an edgeedge with one O(4)Cr3Cu trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cr(2), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Cr(3), two equivalent Cr(1), and one Cu(1) atom to form OCr3Cu trigonal pyramids that share corners with three equivalent O(2)MgCr3Cu trigonal bipyramids, corners with three equivalent O(4)Cr3Cu trigonal pyramids, and  an edgeedge with one O(2)MgCr3Cu trigonal bipyramid. is represented by the CIF card [CIF]
data_MgCr4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.063
_cell_length_c   6.216
_cell_angle_alpha   91.225
_cell_angle_beta   118.490
_cell_angle_gamma   119.276
_symmetry_Int_Tables_number   1
_cell_volume   165.205
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.713  0.838  0.625  1.0
  Cr  Cr1  1  0.229  0.855  0.621  1.0
  Cr  Cr2  1  0.734  0.358  0.629  1.0
  Cr  Cr3  1  0.748  0.373  0.125  1.0
  Cr  Cr4  1  0.235  0.360  0.625  1.0
  Cu  Cu5  1  0.483  0.826  0.138  1.0
  Cu  Cu6  1  0.188  0.095  0.112  1.0
  O  O7  1  0.221  0.600  0.400  1.0
  O  O8  1  0.777  0.149  0.407  1.0
  O  O9  1  0.700  0.571  0.850  1.0
  O  O10  1  0.242  0.120  0.843  1.0
  O  O11  1  0.769  0.605  0.406  1.0
  O  O12  1  0.187  0.584  0.812  1.0
  O  O13  1  0.272  0.125  0.438  1.0
  O  O14  1  0.700  0.113  0.844  1.0
[/CIF]
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The material structure described by MgCr4(CuO4)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the third Cr site, Cr(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Cu(1) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Cr(2), and one Cr(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Cr(1), one Cr(2), one Cr(3), and one Cu(1) atom to form OMgCr3Cu trigonal bipyramids that share  a cornercorner with one O(2)MgCr3Cu trigonal bipyramid, corners with three equivalent O(4)Cr3Cu trigonal pyramids,  an edgeedge with one O(2)MgCr3Cu trigonal bipyramid, and  an edgeedge with one O(4)Cr3Cu trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cr(2), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Cr(3), two equivalent Cr(1), and one Cu(1) atom to form OCr3Cu trigonal pyramids that share corners with three equivalent O(2)MgCr3Cu trigonal bipyramids, corners with three equivalent O(4)Cr3Cu trigonal pyramids, and  an edgeedge with one O(2)MgCr3Cu trigonal bipyramid. is represented by the CIF card [CIF]
data_MgCr4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.063
_cell_length_c   6.216
_cell_angle_alpha   91.225
_cell_angle_beta   118.490
_cell_angle_gamma   119.276
_symmetry_Int_Tables_number   1
_cell_volume   165.205
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.713  0.838  0.625  1.0
  Cr  Cr1  1  0.229  0.855  0.621  1.0
  Cr  Cr2  1  0.734  0.358  0.629  1.0
  Cr  Cr3  1  0.748  0.373  0.125  1.0
  Cr  Cr4  1  0.235  0.360  0.625  1.0
  Cu  Cu5  1  0.483  0.826  0.138  1.0
  Cu  Cu6  1  0.188  0.095  0.112  1.0
  O  O7  1  0.221  0.600  0.400  1.0
  O  O8  1  0.777  0.149  0.407  1.0
  O  O9  1  0.700  0.571  0.850  1.0
  O  O10  1  0.242  0.120  0.843  1.0
  O  O11  1  0.769  0.605  0.406  1.0
  O  O12  1  0.187  0.584  0.812  1.0
  O  O13  1  0.272  0.125  0.438  1.0
  O  O14  1  0.700  0.113  0.844  1.0
[/CIF]
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