The compound described by V3Co(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third V site, V(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Co(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form CoO6 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-41°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   57.518
_cell_angle_beta   57.518
_cell_angle_gamma   57.518
_symmetry_Int_Tables_number   1
_cell_volume   416.641
_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  0.857  0.857  0.857  1.0
  V  V1  1  0.640  0.640  0.640  1.0
  V  V2  1  0.363  0.363  0.363  1.0
  Co  Co3  1  0.145  0.145  0.145  1.0
  P  P4  1  0.254  0.522  0.969  1.0
  P  P5  1  0.969  0.254  0.522  1.0
  P  P6  1  0.522  0.969  0.254  1.0
  P  P7  1  0.465  0.031  0.757  1.0
  P  P8  1  0.031  0.757  0.465  1.0
  P  P9  1  0.757  0.465  0.031  1.0
  O  O10  1  0.691  0.506  0.874  1.0
  O  O11  1  0.506  0.874  0.691  1.0
  O  O12  1  0.050  0.690  0.972  1.0
  O  O13  1  0.874  0.691  0.506  1.0
  O  O14  1  0.404  0.599  0.768  1.0
  O  O15  1  0.272  0.332  0.979  1.0
  O  O16  1  0.972  0.050  0.690  1.0
  O  O17  1  0.768  0.404  0.599  1.0
  O  O18  1  0.599  0.768  0.404  1.0
  O  O19  1  0.661  0.013  0.743  1.0
  O  O20  1  0.307  0.013  0.957  1.0
  O  O21  1  0.013  0.743  0.661  1.0
  O  O22  1  0.979  0.272  0.332  1.0
  O  O23  1  0.690  0.972  0.050  1.0
  O  O24  1  0.332  0.979  0.272  1.0
  O  O25  1  0.404  0.233  0.597  1.0
  O  O26  1  0.233  0.597  0.404  1.0
  O  O27  1  0.013  0.957  0.307  1.0
  O  O28  1  0.743  0.661  0.013  1.0
  O  O29  1  0.597  0.404  0.233  1.0
  O  O30  1  0.131  0.300  0.500  1.0
  O  O31  1  0.957  0.307  0.013  1.0
  O  O32  1  0.500  0.131  0.300  1.0
  O  O33  1  0.300  0.500  0.131  1.0
[/CIF]
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The compound described by V3Co(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third V site, V(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Co(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form CoO6 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-41°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   57.518
_cell_angle_beta   57.518
_cell_angle_gamma   57.518
_symmetry_Int_Tables_number   1
_cell_volume   416.641
_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  0.857  0.857  0.857  1.0
  V  V1  1  0.640  0.640  0.640  1.0
  V  V2  1  0.363  0.363  0.363  1.0
  Co  Co3  1  0.145  0.145  0.145  1.0
  P  P4  1  0.254  0.522  0.969  1.0
  P  P5  1  0.969  0.254  0.522  1.0
  P  P6  1  0.522  0.969  0.254  1.0
  P  P7  1  0.465  0.031  0.757  1.0
  P  P8  1  0.031  0.757  0.465  1.0
  P  P9  1  0.757  0.465  0.031  1.0
  O  O10  1  0.691  0.506  0.874  1.0
  O  O11  1  0.506  0.874  0.691  1.0
  O  O12  1  0.050  0.690  0.972  1.0
  O  O13  1  0.874  0.691  0.506  1.0
  O  O14  1  0.404  0.599  0.768  1.0
  O  O15  1  0.272  0.332  0.979  1.0
  O  O16  1  0.972  0.050  0.690  1.0
  O  O17  1  0.768  0.404  0.599  1.0
  O  O18  1  0.599  0.768  0.404  1.0
  O  O19  1  0.661  0.013  0.743  1.0
  O  O20  1  0.307  0.013  0.957  1.0
  O  O21  1  0.013  0.743  0.661  1.0
  O  O22  1  0.979  0.272  0.332  1.0
  O  O23  1  0.690  0.972  0.050  1.0
  O  O24  1  0.332  0.979  0.272  1.0
  O  O25  1  0.404  0.233  0.597  1.0
  O  O26  1  0.233  0.597  0.404  1.0
  O  O27  1  0.013  0.957  0.307  1.0
  O  O28  1  0.743  0.661  0.013  1.0
  O  O29  1  0.597  0.404  0.233  1.0
  O  O30  1  0.131  0.300  0.500  1.0
  O  O31  1  0.957  0.307  0.013  1.0
  O  O32  1  0.500  0.131  0.300  1.0
  O  O33  1  0.300  0.500  0.131  1.0
[/CIF]
.