The material described by V3Sb(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent Sb(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 52-56°. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent V(1)O6 octahedra,  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. The corner-sharing octahedral tilt angles range from 43-47°. Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with four equivalent V(2)O6 pentagonal pyramids,  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. 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 corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid,  a cornercorner with one V(3)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 65°. 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 corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid,  a cornercorner with one V(3)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. 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 V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(2)O6 pentagonal pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. 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 V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(3)O6 pentagonal pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_V3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   10.317
_cell_length_c   6.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.912
_symmetry_Int_Tables_number   1
_cell_volume   313.646
_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  0.472  0.228  0.750  1.0
  V  V1  1  0.533  0.779  0.250  1.0
  V  V2  1  0.977  0.266  0.250  1.0
  Sb  Sb3  1  0.026  0.723  0.750  1.0
  P  P4  1  0.110  0.597  0.250  1.0
  P  P5  1  0.415  0.100  0.250  1.0
  P  P6  1  0.570  0.913  0.750  1.0
  P  P7  1  0.905  0.387  0.750  1.0
  O  O8  1  0.120  0.450  0.250  1.0
  O  O9  1  0.276  0.662  0.054  1.0
  O  O10  1  0.276  0.662  0.446  1.0
  O  O11  1  0.205  0.367  0.750  1.0
  O  O12  1  0.269  0.894  0.750  1.0
  O  O13  1  0.267  0.172  0.052  1.0
  O  O14  1  0.267  0.172  0.448  1.0
  O  O15  1  0.360  0.954  0.250  1.0
  O  O16  1  0.638  0.057  0.750  1.0
  O  O17  1  0.706  0.842  0.548  1.0
  O  O18  1  0.706  0.842  0.952  1.0
  O  O19  1  0.713  0.126  0.250  1.0
  O  O20  1  0.825  0.648  0.250  1.0
  O  O21  1  0.766  0.314  0.550  1.0
  O  O22  1  0.766  0.314  0.950  1.0
  O  O23  1  0.830  0.529  0.750  1.0
[/CIF]
.
The material described by V3Sb(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent Sb(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 52-56°. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent V(1)O6 octahedra,  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. The corner-sharing octahedral tilt angles range from 43-47°. Sb(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with four equivalent V(2)O6 pentagonal pyramids,  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. 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 corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid,  a cornercorner with one V(3)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 65°. 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 corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid,  a cornercorner with one V(3)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 58°. 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 V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(2)O6 pentagonal pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. 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 V(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(3)O6 pentagonal pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(4) atom. is represented by the CIF file [CIF]
data_V3Sb(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   10.317
_cell_length_c   6.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.912
_symmetry_Int_Tables_number   1
_cell_volume   313.646
_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  0.472  0.228  0.750  1.0
  V  V1  1  0.533  0.779  0.250  1.0
  V  V2  1  0.977  0.266  0.250  1.0
  Sb  Sb3  1  0.026  0.723  0.750  1.0
  P  P4  1  0.110  0.597  0.250  1.0
  P  P5  1  0.415  0.100  0.250  1.0
  P  P6  1  0.570  0.913  0.750  1.0
  P  P7  1  0.905  0.387  0.750  1.0
  O  O8  1  0.120  0.450  0.250  1.0
  O  O9  1  0.276  0.662  0.054  1.0
  O  O10  1  0.276  0.662  0.446  1.0
  O  O11  1  0.205  0.367  0.750  1.0
  O  O12  1  0.269  0.894  0.750  1.0
  O  O13  1  0.267  0.172  0.052  1.0
  O  O14  1  0.267  0.172  0.448  1.0
  O  O15  1  0.360  0.954  0.250  1.0
  O  O16  1  0.638  0.057  0.750  1.0
  O  O17  1  0.706  0.842  0.548  1.0
  O  O18  1  0.706  0.842  0.952  1.0
  O  O19  1  0.713  0.126  0.250  1.0
  O  O20  1  0.825  0.648  0.250  1.0
  O  O21  1  0.766  0.314  0.550  1.0
  O  O22  1  0.766  0.314  0.950  1.0
  O  O23  1  0.830  0.529  0.750  1.0
[/CIF]
.