The compound described by Cr4(CuO4)3 crystallizes in the cubic Im-3 space group. Cr(1) is bonded to six equivalent O(1) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cr4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.311
_cell_length_b   6.311
_cell_length_c   6.311
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   193.490
_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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.317  0.141  0.824  1.0
  O  O8  1  0.683  0.859  0.176  1.0
  O  O9  1  0.683  0.507  0.824  1.0
  O  O10  1  0.493  0.176  0.317  1.0
  O  O11  1  0.176  0.317  0.493  1.0
  O  O12  1  0.824  0.317  0.141  1.0
  O  O13  1  0.859  0.176  0.683  1.0
  O  O14  1  0.824  0.683  0.507  1.0
  O  O15  1  0.317  0.493  0.176  1.0
  O  O16  1  0.507  0.824  0.683  1.0
  O  O17  1  0.176  0.683  0.859  1.0
  O  O18  1  0.141  0.824  0.317  1.0
[/CIF]
.
The compound described by Cr4(CuO4)3 crystallizes in the cubic Im-3 space group. Cr(1) is bonded to six equivalent O(1) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cr4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.311
_cell_length_b   6.311
_cell_length_c   6.311
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   193.490
_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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.317  0.141  0.824  1.0
  O  O8  1  0.683  0.859  0.176  1.0
  O  O9  1  0.683  0.507  0.824  1.0
  O  O10  1  0.493  0.176  0.317  1.0
  O  O11  1  0.176  0.317  0.493  1.0
  O  O12  1  0.824  0.317  0.141  1.0
  O  O13  1  0.859  0.176  0.683  1.0
  O  O14  1  0.824  0.683  0.507  1.0
  O  O15  1  0.317  0.493  0.176  1.0
  O  O16  1  0.507  0.824  0.683  1.0
  O  O17  1  0.176  0.683  0.859  1.0
  O  O18  1  0.141  0.824  0.317  1.0
[/CIF]
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