The compound described by CsMgNiF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Mg(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. Ni(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Mg(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_CsMgNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   120.513
_cell_angle_beta   119.552
_cell_angle_gamma   89.946
_symmetry_Int_Tables_number   1
_cell_volume   280.323
_cell_formula_units_Z   2
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  0.372  0.622  0.750  1.0
  Cs  Cs1  1  0.628  0.378  0.250  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.318  0.068  0.250  1.0
  F  F7  1  0.931  0.681  0.250  1.0
  F  F8  1  0.326  0.693  0.262  1.0
  F  F9  1  0.931  0.064  0.238  1.0
  F  F10  1  0.326  0.064  0.633  1.0
  F  F11  1  0.931  0.693  0.867  1.0
  F  F12  1  0.682  0.932  0.750  1.0
  F  F13  1  0.069  0.319  0.750  1.0
  F  F14  1  0.674  0.307  0.738  1.0
  F  F15  1  0.069  0.936  0.762  1.0
  F  F16  1  0.674  0.936  0.367  1.0
  F  F17  1  0.069  0.307  0.133  1.0
[/CIF]
.
The compound described by CsMgNiF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Mg(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. Ni(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Mg(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_CsMgNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   120.513
_cell_angle_beta   119.552
_cell_angle_gamma   89.946
_symmetry_Int_Tables_number   1
_cell_volume   280.323
_cell_formula_units_Z   2
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  0.372  0.622  0.750  1.0
  Cs  Cs1  1  0.628  0.378  0.250  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.318  0.068  0.250  1.0
  F  F7  1  0.931  0.681  0.250  1.0
  F  F8  1  0.326  0.693  0.262  1.0
  F  F9  1  0.931  0.064  0.238  1.0
  F  F10  1  0.326  0.064  0.633  1.0
  F  F11  1  0.931  0.693  0.867  1.0
  F  F12  1  0.682  0.932  0.750  1.0
  F  F13  1  0.069  0.319  0.750  1.0
  F  F14  1  0.674  0.307  0.738  1.0
  F  F15  1  0.069  0.936  0.762  1.0
  F  F16  1  0.674  0.936  0.367  1.0
  F  F17  1  0.069  0.307  0.133  1.0
[/CIF]
.