The compound described by CuSb3(PO4)6 crystallizes in the trigonal R3 space group. Cu(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, and  a cornercorner with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, and  a cornercorner with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-36°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.876
_cell_length_c   8.876
_cell_angle_alpha   57.965
_cell_angle_beta   57.965
_cell_angle_gamma   57.965
_symmetry_Int_Tables_number   1
_cell_volume   471.440
_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  0.145  0.145  0.145  1.0
  Sb  Sb1  1  0.857  0.857  0.857  1.0
  Sb  Sb2  1  0.643  0.643  0.643  1.0
  Sb  Sb3  1  0.357  0.357  0.357  1.0
  P  P4  1  0.532  0.964  0.248  1.0
  P  P5  1  0.248  0.532  0.964  1.0
  P  P6  1  0.964  0.248  0.532  1.0
  P  P7  1  0.039  0.755  0.457  1.0
  P  P8  1  0.755  0.457  0.039  1.0
  P  P9  1  0.457  0.039  0.755  1.0
  O  O10  1  0.487  0.867  0.723  1.0
  O  O11  1  0.867  0.723  0.487  1.0
  O  O12  1  0.720  0.941  0.076  1.0
  O  O13  1  0.723  0.487  0.867  1.0
  O  O14  1  0.560  0.781  0.424  1.0
  O  O15  1  0.365  0.986  0.226  1.0
  O  O16  1  0.076  0.720  0.941  1.0
  O  O17  1  0.424  0.560  0.781  1.0
  O  O18  1  0.781  0.424  0.560  1.0
  O  O19  1  0.014  0.772  0.636  1.0
  O  O20  1  0.058  0.926  0.280  1.0
  O  O21  1  0.772  0.636  0.014  1.0
  O  O22  1  0.226  0.365  0.986  1.0
  O  O23  1  0.941  0.076  0.720  1.0
  O  O24  1  0.986  0.226  0.365  1.0
  O  O25  1  0.218  0.573  0.444  1.0
  O  O26  1  0.573  0.444  0.218  1.0
  O  O27  1  0.926  0.280  0.058  1.0
  O  O28  1  0.636  0.014  0.772  1.0
  O  O29  1  0.444  0.218  0.573  1.0
  O  O30  1  0.275  0.516  0.133  1.0
  O  O31  1  0.280  0.058  0.926  1.0
  O  O32  1  0.133  0.275  0.516  1.0
  O  O33  1  0.516  0.133  0.275  1.0
[/CIF]
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The compound described by CuSb3(PO4)6 crystallizes in the trigonal R3 space group. Cu(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, and  a cornercorner with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, and  a cornercorner with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-36°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.876
_cell_length_c   8.876
_cell_angle_alpha   57.965
_cell_angle_beta   57.965
_cell_angle_gamma   57.965
_symmetry_Int_Tables_number   1
_cell_volume   471.440
_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  0.145  0.145  0.145  1.0
  Sb  Sb1  1  0.857  0.857  0.857  1.0
  Sb  Sb2  1  0.643  0.643  0.643  1.0
  Sb  Sb3  1  0.357  0.357  0.357  1.0
  P  P4  1  0.532  0.964  0.248  1.0
  P  P5  1  0.248  0.532  0.964  1.0
  P  P6  1  0.964  0.248  0.532  1.0
  P  P7  1  0.039  0.755  0.457  1.0
  P  P8  1  0.755  0.457  0.039  1.0
  P  P9  1  0.457  0.039  0.755  1.0
  O  O10  1  0.487  0.867  0.723  1.0
  O  O11  1  0.867  0.723  0.487  1.0
  O  O12  1  0.720  0.941  0.076  1.0
  O  O13  1  0.723  0.487  0.867  1.0
  O  O14  1  0.560  0.781  0.424  1.0
  O  O15  1  0.365  0.986  0.226  1.0
  O  O16  1  0.076  0.720  0.941  1.0
  O  O17  1  0.424  0.560  0.781  1.0
  O  O18  1  0.781  0.424  0.560  1.0
  O  O19  1  0.014  0.772  0.636  1.0
  O  O20  1  0.058  0.926  0.280  1.0
  O  O21  1  0.772  0.636  0.014  1.0
  O  O22  1  0.226  0.365  0.986  1.0
  O  O23  1  0.941  0.076  0.720  1.0
  O  O24  1  0.986  0.226  0.365  1.0
  O  O25  1  0.218  0.573  0.444  1.0
  O  O26  1  0.573  0.444  0.218  1.0
  O  O27  1  0.926  0.280  0.058  1.0
  O  O28  1  0.636  0.014  0.772  1.0
  O  O29  1  0.444  0.218  0.573  1.0
  O  O30  1  0.275  0.516  0.133  1.0
  O  O31  1  0.280  0.058  0.926  1.0
  O  O32  1  0.133  0.275  0.516  1.0
  O  O33  1  0.516  0.133  0.275  1.0
[/CIF]
.