The compound described by V2Fe3Te(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 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(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-55°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one P(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Fe3Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.606
_cell_length_c   8.606
_cell_angle_alpha   61.061
_cell_angle_beta   61.061
_cell_angle_gamma   61.061
_symmetry_Int_Tables_number   1
_cell_volume   461.468
_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  0.002  0.002  0.002  1.0
  V  V1  1  0.499  0.499  0.499  1.0
  Fe  Fe2  1  0.353  0.353  0.353  1.0
  Fe  Fe3  1  0.147  0.147  0.147  1.0
  Fe  Fe4  1  0.645  0.645  0.645  1.0
  Te  Te5  1  0.852  0.852  0.852  1.0
  P  P6  1  0.747  0.053  0.443  1.0
  P  P7  1  0.053  0.443  0.747  1.0
  P  P8  1  0.443  0.747  0.053  1.0
  P  P9  1  0.540  0.258  0.954  1.0
  P  P10  1  0.954  0.540  0.258  1.0
  P  P11  1  0.258  0.954  0.540  1.0
  O  O12  1  0.890  0.500  0.684  1.0
  O  O13  1  0.500  0.684  0.890  1.0
  O  O14  1  0.684  0.890  0.500  1.0
  O  O15  1  0.906  0.066  0.249  1.0
  O  O16  1  0.820  0.024  0.591  1.0
  O  O17  1  0.591  0.248  0.429  1.0
  O  O18  1  0.066  0.249  0.906  1.0
  O  O19  1  0.248  0.429  0.591  1.0
  O  O20  1  0.393  0.179  0.997  1.0
  O  O21  1  0.429  0.591  0.248  1.0
  O  O22  1  0.742  0.102  0.943  1.0
  O  O23  1  0.997  0.393  0.179  1.0
  O  O24  1  0.024  0.591  0.820  1.0
  O  O25  1  0.249  0.906  0.066  1.0
  O  O26  1  0.560  0.409  0.753  1.0
  O  O27  1  0.591  0.820  0.024  1.0
  O  O28  1  0.753  0.560  0.409  1.0
  O  O29  1  0.943  0.742  0.102  1.0
  O  O30  1  0.409  0.753  0.560  1.0
  O  O31  1  0.179  0.997  0.393  1.0
  O  O32  1  0.102  0.943  0.742  1.0
  O  O33  1  0.332  0.104  0.494  1.0
  O  O34  1  0.494  0.332  0.104  1.0
  O  O35  1  0.104  0.494  0.332  1.0
[/CIF]
.
The compound described by V2Fe3Te(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 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(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-55°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one P(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Fe3Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.606
_cell_length_c   8.606
_cell_angle_alpha   61.061
_cell_angle_beta   61.061
_cell_angle_gamma   61.061
_symmetry_Int_Tables_number   1
_cell_volume   461.468
_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  0.002  0.002  0.002  1.0
  V  V1  1  0.499  0.499  0.499  1.0
  Fe  Fe2  1  0.353  0.353  0.353  1.0
  Fe  Fe3  1  0.147  0.147  0.147  1.0
  Fe  Fe4  1  0.645  0.645  0.645  1.0
  Te  Te5  1  0.852  0.852  0.852  1.0
  P  P6  1  0.747  0.053  0.443  1.0
  P  P7  1  0.053  0.443  0.747  1.0
  P  P8  1  0.443  0.747  0.053  1.0
  P  P9  1  0.540  0.258  0.954  1.0
  P  P10  1  0.954  0.540  0.258  1.0
  P  P11  1  0.258  0.954  0.540  1.0
  O  O12  1  0.890  0.500  0.684  1.0
  O  O13  1  0.500  0.684  0.890  1.0
  O  O14  1  0.684  0.890  0.500  1.0
  O  O15  1  0.906  0.066  0.249  1.0
  O  O16  1  0.820  0.024  0.591  1.0
  O  O17  1  0.591  0.248  0.429  1.0
  O  O18  1  0.066  0.249  0.906  1.0
  O  O19  1  0.248  0.429  0.591  1.0
  O  O20  1  0.393  0.179  0.997  1.0
  O  O21  1  0.429  0.591  0.248  1.0
  O  O22  1  0.742  0.102  0.943  1.0
  O  O23  1  0.997  0.393  0.179  1.0
  O  O24  1  0.024  0.591  0.820  1.0
  O  O25  1  0.249  0.906  0.066  1.0
  O  O26  1  0.560  0.409  0.753  1.0
  O  O27  1  0.591  0.820  0.024  1.0
  O  O28  1  0.753  0.560  0.409  1.0
  O  O29  1  0.943  0.742  0.102  1.0
  O  O30  1  0.409  0.753  0.560  1.0
  O  O31  1  0.179  0.997  0.393  1.0
  O  O32  1  0.102  0.943  0.742  1.0
  O  O33  1  0.332  0.104  0.494  1.0
  O  O34  1  0.494  0.332  0.104  1.0
  O  O35  1  0.104  0.494  0.332  1.0
[/CIF]
.