The material described by CsHgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Hg(1)F6 octahedra. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.595
_cell_length_b   4.595
_cell_length_c   4.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.047
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.000  0.500  0.500  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by CsHgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Hg(1)F6 octahedra. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.595
_cell_length_b   4.595
_cell_length_c   4.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.047
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.000  0.500  0.500  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.500  1.0
[/CIF]
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