The structure described by V4CrCuO12 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-65°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-65°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form distorted CuO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one Cr(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(4), one Cr(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(3) and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom. is represented by the CIF file [CIF]
data_V4CrCuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   6.736
_cell_length_c   6.738
_cell_angle_alpha   96.259
_cell_angle_beta   75.245
_cell_angle_gamma   104.744
_symmetry_Int_Tables_number   1
_cell_volume   250.325
_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
  V  V0  1  0.763  0.211  0.609  1.0
  V  V1  1  0.737  0.609  0.211  1.0
  V  V2  1  0.247  0.384  0.800  1.0
  V  V3  1  0.253  0.800  0.384  1.0
  Cr  Cr4  1  0.750  0.081  0.081  1.0
  Cu  Cu5  1  0.249  0.907  0.906  1.0
  O  O6  1  0.674  0.038  0.799  1.0
  O  O7  1  0.826  0.799  0.038  1.0
  O  O8  1  0.781  0.094  0.370  1.0
  O  O9  1  0.719  0.370  0.094  1.0
  O  O10  1  0.112  0.183  0.967  1.0
  O  O11  1  0.388  0.967  0.183  1.0
  O  O12  1  0.550  0.368  0.664  1.0
  O  O13  1  0.950  0.664  0.368  1.0
  O  O14  1  0.054  0.363  0.625  1.0
  O  O15  1  0.446  0.625  0.363  1.0
  O  O16  1  0.260  0.614  0.923  1.0
  O  O17  1  0.240  0.923  0.614  1.0
[/CIF]
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The structure described by V4CrCuO12 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-65°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-65°. In the third V site, V(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form distorted CuO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one Cr(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(4), one Cr(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(3) and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom. is represented by the CIF file [CIF]
data_V4CrCuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   6.736
_cell_length_c   6.738
_cell_angle_alpha   96.259
_cell_angle_beta   75.245
_cell_angle_gamma   104.744
_symmetry_Int_Tables_number   1
_cell_volume   250.325
_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
  V  V0  1  0.763  0.211  0.609  1.0
  V  V1  1  0.737  0.609  0.211  1.0
  V  V2  1  0.247  0.384  0.800  1.0
  V  V3  1  0.253  0.800  0.384  1.0
  Cr  Cr4  1  0.750  0.081  0.081  1.0
  Cu  Cu5  1  0.249  0.907  0.906  1.0
  O  O6  1  0.674  0.038  0.799  1.0
  O  O7  1  0.826  0.799  0.038  1.0
  O  O8  1  0.781  0.094  0.370  1.0
  O  O9  1  0.719  0.370  0.094  1.0
  O  O10  1  0.112  0.183  0.967  1.0
  O  O11  1  0.388  0.967  0.183  1.0
  O  O12  1  0.550  0.368  0.664  1.0
  O  O13  1  0.950  0.664  0.368  1.0
  O  O14  1  0.054  0.363  0.625  1.0
  O  O15  1  0.446  0.625  0.363  1.0
  O  O16  1  0.260  0.614  0.923  1.0
  O  O17  1  0.240  0.923  0.614  1.0
[/CIF]
.