The material described by Cr3NiTe2(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Ni(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted NiO6 pentagonal pyramids 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-46°. 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-43°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one P(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one P(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(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 Cr(3), one P(2), and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3NiTe2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.824
_cell_length_b   8.824
_cell_length_c   8.824
_cell_angle_alpha   58.540
_cell_angle_beta   58.540
_cell_angle_gamma   58.540
_symmetry_Int_Tables_number   1
_cell_volume   469.606
_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
  Cr  Cr0  1  0.144  0.144  0.144  1.0
  Cr  Cr1  1  0.354  0.354  0.354  1.0
  Cr  Cr2  1  0.647  0.647  0.647  1.0
  Ni  Ni3  1  0.847  0.847  0.847  1.0
  Te  Te4  1  0.987  0.987  0.987  1.0
  Te  Te5  1  0.496  0.496  0.496  1.0
  P  P6  1  0.041  0.752  0.459  1.0
  P  P7  1  0.459  0.041  0.752  1.0
  P  P8  1  0.752  0.459  0.041  1.0
  P  P9  1  0.254  0.537  0.964  1.0
  P  P10  1  0.537  0.964  0.254  1.0
  P  P11  1  0.964  0.254  0.537  1.0
  O  O12  1  0.121  0.299  0.512  1.0
  O  O13  1  0.299  0.512  0.121  1.0
  O  O14  1  0.066  0.914  0.260  1.0
  O  O15  1  0.512  0.121  0.299  1.0
  O  O16  1  0.237  0.579  0.432  1.0
  O  O17  1  0.022  0.798  0.610  1.0
  O  O18  1  0.260  0.066  0.914  1.0
  O  O19  1  0.432  0.237  0.579  1.0
  O  O20  1  0.579  0.432  0.237  1.0
  O  O21  1  0.194  0.389  0.994  1.0
  O  O22  1  0.084  0.741  0.939  1.0
  O  O23  1  0.389  0.994  0.194  1.0
  O  O24  1  0.610  0.022  0.798  1.0
  O  O25  1  0.914  0.260  0.066  1.0
  O  O26  1  0.798  0.610  0.022  1.0
  O  O27  1  0.418  0.565  0.770  1.0
  O  O28  1  0.565  0.770  0.418  1.0
  O  O29  1  0.741  0.939  0.084  1.0
  O  O30  1  0.994  0.194  0.389  1.0
  O  O31  1  0.770  0.418  0.565  1.0
  O  O32  1  0.489  0.884  0.700  1.0
  O  O33  1  0.939  0.084  0.741  1.0
  O  O34  1  0.700  0.489  0.884  1.0
  O  O35  1  0.884  0.700  0.489  1.0
[/CIF]
.
The material described by Cr3NiTe2(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Ni(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted NiO6 pentagonal pyramids 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-46°. 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-43°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one P(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one P(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(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 Cr(3), one P(2), and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3NiTe2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.824
_cell_length_b   8.824
_cell_length_c   8.824
_cell_angle_alpha   58.540
_cell_angle_beta   58.540
_cell_angle_gamma   58.540
_symmetry_Int_Tables_number   1
_cell_volume   469.606
_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
  Cr  Cr0  1  0.144  0.144  0.144  1.0
  Cr  Cr1  1  0.354  0.354  0.354  1.0
  Cr  Cr2  1  0.647  0.647  0.647  1.0
  Ni  Ni3  1  0.847  0.847  0.847  1.0
  Te  Te4  1  0.987  0.987  0.987  1.0
  Te  Te5  1  0.496  0.496  0.496  1.0
  P  P6  1  0.041  0.752  0.459  1.0
  P  P7  1  0.459  0.041  0.752  1.0
  P  P8  1  0.752  0.459  0.041  1.0
  P  P9  1  0.254  0.537  0.964  1.0
  P  P10  1  0.537  0.964  0.254  1.0
  P  P11  1  0.964  0.254  0.537  1.0
  O  O12  1  0.121  0.299  0.512  1.0
  O  O13  1  0.299  0.512  0.121  1.0
  O  O14  1  0.066  0.914  0.260  1.0
  O  O15  1  0.512  0.121  0.299  1.0
  O  O16  1  0.237  0.579  0.432  1.0
  O  O17  1  0.022  0.798  0.610  1.0
  O  O18  1  0.260  0.066  0.914  1.0
  O  O19  1  0.432  0.237  0.579  1.0
  O  O20  1  0.579  0.432  0.237  1.0
  O  O21  1  0.194  0.389  0.994  1.0
  O  O22  1  0.084  0.741  0.939  1.0
  O  O23  1  0.389  0.994  0.194  1.0
  O  O24  1  0.610  0.022  0.798  1.0
  O  O25  1  0.914  0.260  0.066  1.0
  O  O26  1  0.798  0.610  0.022  1.0
  O  O27  1  0.418  0.565  0.770  1.0
  O  O28  1  0.565  0.770  0.418  1.0
  O  O29  1  0.741  0.939  0.084  1.0
  O  O30  1  0.994  0.194  0.389  1.0
  O  O31  1  0.770  0.418  0.565  1.0
  O  O32  1  0.489  0.884  0.700  1.0
  O  O33  1  0.939  0.084  0.741  1.0
  O  O34  1  0.700  0.489  0.884  1.0
  O  O35  1  0.884  0.700  0.489  1.0
[/CIF]
.