The crystal structure described by Cu3Sb(PO4)4 crystallizes in the monoclinic Pm space group. 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 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 are 50°. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(11), 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 are 50°. Sb(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SbO6 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 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 Cu(3)O6 octahedra,  a cornercorner with one Sb(1)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 50-59°. 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 Cu(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-43°. 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 49-54°. 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sb(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 distorted 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 Cu(2), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 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 Sb(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 3-coordinate geometry to one Cu(2), one Sb(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 file [CIF]
data_Cu3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   9.859
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.785
_symmetry_Int_Tables_number   1
_cell_volume   288.123
_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
  Cu  Cu0  1  0.042  0.727  0.750  1.0
  Cu  Cu1  1  0.420  0.213  0.750  1.0
  Cu  Cu2  1  0.566  0.774  0.250  1.0
  Sb  Sb3  1  0.964  0.282  0.250  1.0
  P  P4  1  0.090  0.604  0.250  1.0
  P  P5  1  0.409  0.091  0.250  1.0
  P  P6  1  0.582  0.902  0.750  1.0
  P  P7  1  0.923  0.410  0.750  1.0
  O  O8  1  0.184  0.446  0.250  1.0
  O  O9  1  0.229  0.669  0.045  1.0
  O  O10  1  0.229  0.669  0.455  1.0
  O  O11  1  0.229  0.384  0.750  1.0
  O  O12  1  0.271  0.889  0.750  1.0
  O  O13  1  0.252  0.171  0.055  1.0
  O  O14  1  0.252  0.171  0.445  1.0
  O  O15  1  0.353  0.942  0.250  1.0
  O  O16  1  0.648  0.056  0.750  1.0
  O  O17  1  0.736  0.829  0.550  1.0
  O  O18  1  0.736  0.829  0.950  1.0
  O  O19  1  0.720  0.119  0.250  1.0
  O  O20  1  0.776  0.604  0.250  1.0
  O  O21  1  0.780  0.331  0.543  1.0
  O  O22  1  0.780  0.331  0.957  1.0
  O  O23  1  0.830  0.556  0.750  1.0
[/CIF]
.
The crystal structure described by Cu3Sb(PO4)4 crystallizes in the monoclinic Pm space group. 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 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 are 50°. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(11), 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 are 50°. Sb(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SbO6 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 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 Cu(3)O6 octahedra,  a cornercorner with one Sb(1)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 50-59°. 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 Cu(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-43°. 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 49-54°. 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sb(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 distorted 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 Cu(2), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 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 Sb(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 3-coordinate geometry to one Cu(2), one Sb(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 file [CIF]
data_Cu3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   9.859
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.785
_symmetry_Int_Tables_number   1
_cell_volume   288.123
_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
  Cu  Cu0  1  0.042  0.727  0.750  1.0
  Cu  Cu1  1  0.420  0.213  0.750  1.0
  Cu  Cu2  1  0.566  0.774  0.250  1.0
  Sb  Sb3  1  0.964  0.282  0.250  1.0
  P  P4  1  0.090  0.604  0.250  1.0
  P  P5  1  0.409  0.091  0.250  1.0
  P  P6  1  0.582  0.902  0.750  1.0
  P  P7  1  0.923  0.410  0.750  1.0
  O  O8  1  0.184  0.446  0.250  1.0
  O  O9  1  0.229  0.669  0.045  1.0
  O  O10  1  0.229  0.669  0.455  1.0
  O  O11  1  0.229  0.384  0.750  1.0
  O  O12  1  0.271  0.889  0.750  1.0
  O  O13  1  0.252  0.171  0.055  1.0
  O  O14  1  0.252  0.171  0.445  1.0
  O  O15  1  0.353  0.942  0.250  1.0
  O  O16  1  0.648  0.056  0.750  1.0
  O  O17  1  0.736  0.829  0.550  1.0
  O  O18  1  0.736  0.829  0.950  1.0
  O  O19  1  0.720  0.119  0.250  1.0
  O  O20  1  0.776  0.604  0.250  1.0
  O  O21  1  0.780  0.331  0.543  1.0
  O  O22  1  0.780  0.331  0.957  1.0
  O  O23  1  0.830  0.556  0.750  1.0
[/CIF]
.