The material structure described by SrNiF6 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to twelve equivalent F(1) atoms to form SrF12 cuboctahedra that share corners with six equivalent Ni(1)F6 octahedra, edges with six equivalent Sr(1)F12 cuboctahedra, and faces with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. Ni(1) is bonded to six equivalent F(1) atoms to form NiF6 octahedra that share corners with six equivalent Sr(1)F12 cuboctahedra and faces with two equivalent Sr(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_SrNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.656
_cell_length_c   4.656
_cell_angle_alpha   99.440
_cell_angle_beta   99.440
_cell_angle_gamma   99.440
_symmetry_Int_Tables_number   1
_cell_volume   96.319
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.722  0.722  0.068  1.0
  F  F3  1  0.722  0.068  0.722  1.0
  F  F4  1  0.278  0.932  0.278  1.0
  F  F5  1  0.278  0.278  0.932  1.0
  F  F6  1  0.932  0.278  0.278  1.0
  F  F7  1  0.068  0.722  0.722  1.0
[/CIF]
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The material structure described by SrNiF6 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to twelve equivalent F(1) atoms to form SrF12 cuboctahedra that share corners with six equivalent Ni(1)F6 octahedra, edges with six equivalent Sr(1)F12 cuboctahedra, and faces with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. Ni(1) is bonded to six equivalent F(1) atoms to form NiF6 octahedra that share corners with six equivalent Sr(1)F12 cuboctahedra and faces with two equivalent Sr(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_SrNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.656
_cell_length_c   4.656
_cell_angle_alpha   99.440
_cell_angle_beta   99.440
_cell_angle_gamma   99.440
_symmetry_Int_Tables_number   1
_cell_volume   96.319
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.722  0.722  0.068  1.0
  F  F3  1  0.722  0.068  0.722  1.0
  F  F4  1  0.278  0.932  0.278  1.0
  F  F5  1  0.278  0.278  0.932  1.0
  F  F6  1  0.932  0.278  0.278  1.0
  F  F7  1  0.068  0.722  0.722  1.0
[/CIF]
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