The material described by Cr4Cu3(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(2), one O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(4), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-61°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-66°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr4Cu3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.310
_cell_length_b   7.950
_cell_length_c   9.450
_cell_angle_alpha   107.042
_cell_angle_beta   107.379
_cell_angle_gamma   100.217
_symmetry_Int_Tables_number   1
_cell_volume   413.913
_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  0.621  0.543  0.892  1.0
  Cr  Cr1  1  0.048  0.711  0.522  1.0
  Cr  Cr2  1  0.379  0.457  0.108  1.0
  Cr  Cr3  1  0.952  0.289  0.478  1.0
  Cu  Cu4  1  0.295  0.824  0.310  1.0
  Cu  Cu5  1  0.705  0.176  0.690  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.777  0.854  0.238  1.0
  P  P8  1  0.223  0.146  0.762  1.0
  P  P9  1  0.602  0.764  0.632  1.0
  P  P10  1  0.398  0.236  0.368  1.0
  P  P11  1  0.098  0.606  0.837  1.0
  P  P12  1  0.902  0.394  0.163  1.0
  O  O13  1  0.795  0.055  0.301  1.0
  O  O14  1  0.205  0.945  0.699  1.0
  O  O15  1  0.777  0.796  0.065  1.0
  O  O16  1  0.223  0.204  0.935  1.0
  O  O17  1  0.639  0.259  0.497  1.0
  O  O18  1  0.361  0.741  0.503  1.0
  O  O19  1  0.008  0.186  0.654  1.0
  O  O20  1  0.992  0.814  0.346  1.0
  O  O21  1  0.886  0.479  0.843  1.0
  O  O22  1  0.114  0.521  0.157  1.0
  O  O23  1  0.872  0.193  0.081  1.0
  O  O24  1  0.128  0.807  0.919  1.0
  O  O25  1  0.921  0.447  0.341  1.0
  O  O26  1  0.287  0.032  0.246  1.0
  O  O27  1  0.713  0.968  0.754  1.0
  O  O28  1  0.317  0.551  0.923  1.0
  O  O29  1  0.683  0.449  0.077  1.0
  O  O30  1  0.252  0.294  0.465  1.0
  O  O31  1  0.079  0.553  0.659  1.0
  O  O32  1  0.442  0.355  0.273  1.0
  O  O33  1  0.558  0.645  0.727  1.0
  O  O34  1  0.452  0.261  0.759  1.0
  O  O35  1  0.548  0.739  0.241  1.0
  O  O36  1  0.748  0.706  0.535  1.0
[/CIF]
.
The material described by Cr4Cu3(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(2), one O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(4), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-61°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-66°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cr(1), one Cu(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr4Cu3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.310
_cell_length_b   7.950
_cell_length_c   9.450
_cell_angle_alpha   107.042
_cell_angle_beta   107.379
_cell_angle_gamma   100.217
_symmetry_Int_Tables_number   1
_cell_volume   413.913
_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  0.621  0.543  0.892  1.0
  Cr  Cr1  1  0.048  0.711  0.522  1.0
  Cr  Cr2  1  0.379  0.457  0.108  1.0
  Cr  Cr3  1  0.952  0.289  0.478  1.0
  Cu  Cu4  1  0.295  0.824  0.310  1.0
  Cu  Cu5  1  0.705  0.176  0.690  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.777  0.854  0.238  1.0
  P  P8  1  0.223  0.146  0.762  1.0
  P  P9  1  0.602  0.764  0.632  1.0
  P  P10  1  0.398  0.236  0.368  1.0
  P  P11  1  0.098  0.606  0.837  1.0
  P  P12  1  0.902  0.394  0.163  1.0
  O  O13  1  0.795  0.055  0.301  1.0
  O  O14  1  0.205  0.945  0.699  1.0
  O  O15  1  0.777  0.796  0.065  1.0
  O  O16  1  0.223  0.204  0.935  1.0
  O  O17  1  0.639  0.259  0.497  1.0
  O  O18  1  0.361  0.741  0.503  1.0
  O  O19  1  0.008  0.186  0.654  1.0
  O  O20  1  0.992  0.814  0.346  1.0
  O  O21  1  0.886  0.479  0.843  1.0
  O  O22  1  0.114  0.521  0.157  1.0
  O  O23  1  0.872  0.193  0.081  1.0
  O  O24  1  0.128  0.807  0.919  1.0
  O  O25  1  0.921  0.447  0.341  1.0
  O  O26  1  0.287  0.032  0.246  1.0
  O  O27  1  0.713  0.968  0.754  1.0
  O  O28  1  0.317  0.551  0.923  1.0
  O  O29  1  0.683  0.449  0.077  1.0
  O  O30  1  0.252  0.294  0.465  1.0
  O  O31  1  0.079  0.553  0.659  1.0
  O  O32  1  0.442  0.355  0.273  1.0
  O  O33  1  0.558  0.645  0.727  1.0
  O  O34  1  0.452  0.261  0.759  1.0
  O  O35  1  0.548  0.739  0.241  1.0
  O  O36  1  0.748  0.706  0.535  1.0
[/CIF]
.