The crystal structure described by CrCu3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(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(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the CIF card [CIF]
data_CrCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   4.855
_cell_length_c   9.815
_cell_angle_alpha   88.295
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.033
_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  0.038  0.721  1.0
  Cu  Cu1  1  0.500  0.940  0.283  1.0
  Cu  Cu2  1  0.500  0.606  0.791  1.0
  Cu  Cu3  1  0.000  0.429  0.218  1.0
  P  P4  1  0.000  0.903  0.402  1.0
  P  P5  1  0.000  0.587  0.904  1.0
  P  P6  1  0.500  0.425  0.100  1.0
  P  P7  1  0.500  0.080  0.596  1.0
  O  O8  1  0.000  0.832  0.555  1.0
  O  O9  1  0.204  0.760  0.329  1.0
  O  O10  1  0.796  0.760  0.329  1.0
  O  O11  1  0.500  0.760  0.616  1.0
  O  O12  1  0.500  0.739  0.117  1.0
  O  O13  1  0.198  0.753  0.828  1.0
  O  O14  1  0.802  0.753  0.828  1.0
  O  O15  1  0.000  0.653  0.056  1.0
  O  O16  1  0.500  0.372  0.945  1.0
  O  O17  1  0.702  0.265  0.171  1.0
  O  O18  1  0.298  0.265  0.171  1.0
  O  O19  1  0.000  0.282  0.879  1.0
  O  O20  1  0.000  0.221  0.384  1.0
  O  O21  1  0.710  0.211  0.667  1.0
  O  O22  1  0.290  0.211  0.667  1.0
  O  O23  1  0.500  0.154  0.442  1.0
[/CIF]
.
The crystal structure described by CrCu3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(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(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the CIF card [CIF]
data_CrCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   4.855
_cell_length_c   9.815
_cell_angle_alpha   88.295
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.033
_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  0.038  0.721  1.0
  Cu  Cu1  1  0.500  0.940  0.283  1.0
  Cu  Cu2  1  0.500  0.606  0.791  1.0
  Cu  Cu3  1  0.000  0.429  0.218  1.0
  P  P4  1  0.000  0.903  0.402  1.0
  P  P5  1  0.000  0.587  0.904  1.0
  P  P6  1  0.500  0.425  0.100  1.0
  P  P7  1  0.500  0.080  0.596  1.0
  O  O8  1  0.000  0.832  0.555  1.0
  O  O9  1  0.204  0.760  0.329  1.0
  O  O10  1  0.796  0.760  0.329  1.0
  O  O11  1  0.500  0.760  0.616  1.0
  O  O12  1  0.500  0.739  0.117  1.0
  O  O13  1  0.198  0.753  0.828  1.0
  O  O14  1  0.802  0.753  0.828  1.0
  O  O15  1  0.000  0.653  0.056  1.0
  O  O16  1  0.500  0.372  0.945  1.0
  O  O17  1  0.702  0.265  0.171  1.0
  O  O18  1  0.298  0.265  0.171  1.0
  O  O19  1  0.000  0.282  0.879  1.0
  O  O20  1  0.000  0.221  0.384  1.0
  O  O21  1  0.710  0.211  0.667  1.0
  O  O22  1  0.290  0.211  0.667  1.0
  O  O23  1  0.500  0.154  0.442  1.0
[/CIF]
.