The crystal structure described by Ni3Sb4(OF)6 crystallizes in the cubic I-43m space group. Ni(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form corner-sharing NiO2F4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Sb(1) atoms. F(1) is bonded in a linear geometry to two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Sb4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   7.105
_cell_angle_alpha   70.529
_cell_angle_beta   70.529
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   276.086
_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
  F  F0  1  0.750  0.500  0.750  1.0
  F  F1  1  0.500  0.750  0.750  1.0
  F  F2  1  0.750  0.250  0.500  1.0
  F  F3  1  0.250  0.500  0.250  1.0
  F  F4  1  0.250  0.750  0.500  1.0
  F  F5  1  0.500  0.250  0.250  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.000  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.748  0.252  1.0
  O  O10  1  0.748  0.748  0.000  1.0
  O  O11  1  0.252  0.000  0.748  1.0
  O  O12  1  0.000  0.252  0.748  1.0
  O  O13  1  0.252  0.252  0.000  1.0
  O  O14  1  0.748  0.000  0.252  1.0
  Sb  Sb15  1  1.000  0.000  0.324  1.0
  Sb  Sb16  1  0.676  1.000  0.000  1.0
  Sb  Sb17  1  0.324  0.324  0.676  1.0
  Sb  Sb18  1  1.000  0.676  0.000  1.0
[/CIF]
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The crystal structure described by Ni3Sb4(OF)6 crystallizes in the cubic I-43m space group. Ni(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form corner-sharing NiO2F4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Sb(1) atoms. F(1) is bonded in a linear geometry to two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Sb4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   7.105
_cell_angle_alpha   70.529
_cell_angle_beta   70.529
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   276.086
_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
  F  F0  1  0.750  0.500  0.750  1.0
  F  F1  1  0.500  0.750  0.750  1.0
  F  F2  1  0.750  0.250  0.500  1.0
  F  F3  1  0.250  0.500  0.250  1.0
  F  F4  1  0.250  0.750  0.500  1.0
  F  F5  1  0.500  0.250  0.250  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.000  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.748  0.252  1.0
  O  O10  1  0.748  0.748  0.000  1.0
  O  O11  1  0.252  0.000  0.748  1.0
  O  O12  1  0.000  0.252  0.748  1.0
  O  O13  1  0.252  0.252  0.000  1.0
  O  O14  1  0.748  0.000  0.252  1.0
  Sb  Sb15  1  1.000  0.000  0.324  1.0
  Sb  Sb16  1  0.676  1.000  0.000  1.0
  Sb  Sb17  1  0.324  0.324  0.676  1.0
  Sb  Sb18  1  1.000  0.676  0.000  1.0
[/CIF]
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