The material structure described by Cs3GeF7 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), and six equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with four equivalent Ge(1)F6 octahedra and corners with six equivalent Cs(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. Ge(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form GeF6 octahedra that share corners with four equivalent Cs(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Cs(2) and four equivalent Cs(1) atoms to form corner-sharing FCs6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ge(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.341
_cell_length_b   8.341
_cell_length_c   6.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.931
_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  0.193  0.693  0.500  1.0
  Cs  Cs1  1  0.693  0.807  0.500  1.0
  Cs  Cs2  1  0.307  0.193  0.500  1.0
  Cs  Cs3  1  0.807  0.307  0.500  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Cs  Cs5  1  0.000  0.000  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.000  1.0
  Ge  Ge7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.500  0.500  0.500  1.0
  F  F9  1  0.000  0.000  0.500  1.0
  F  F10  1  0.392  0.892  0.793  1.0
  F  F11  1  0.608  0.108  0.793  1.0
  F  F12  1  0.108  0.392  0.793  1.0
  F  F13  1  0.892  0.608  0.793  1.0
  F  F14  1  0.392  0.892  0.207  1.0
  F  F15  1  0.892  0.608  0.207  1.0
  F  F16  1  0.847  0.347  0.000  1.0
  F  F17  1  0.347  0.153  0.000  1.0
  F  F18  1  0.653  0.847  0.000  1.0
  F  F19  1  0.153  0.653  0.000  1.0
  F  F20  1  0.608  0.108  0.207  1.0
  F  F21  1  0.108  0.392  0.207  1.0
[/CIF]
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The material structure described by Cs3GeF7 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), and six equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with four equivalent Ge(1)F6 octahedra and corners with six equivalent Cs(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. Ge(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form GeF6 octahedra that share corners with four equivalent Cs(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Cs(2) and four equivalent Cs(1) atoms to form corner-sharing FCs6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ge(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.341
_cell_length_b   8.341
_cell_length_c   6.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.931
_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  0.193  0.693  0.500  1.0
  Cs  Cs1  1  0.693  0.807  0.500  1.0
  Cs  Cs2  1  0.307  0.193  0.500  1.0
  Cs  Cs3  1  0.807  0.307  0.500  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Cs  Cs5  1  0.000  0.000  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.000  1.0
  Ge  Ge7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.500  0.500  0.500  1.0
  F  F9  1  0.000  0.000  0.500  1.0
  F  F10  1  0.392  0.892  0.793  1.0
  F  F11  1  0.608  0.108  0.793  1.0
  F  F12  1  0.108  0.392  0.793  1.0
  F  F13  1  0.892  0.608  0.793  1.0
  F  F14  1  0.392  0.892  0.207  1.0
  F  F15  1  0.892  0.608  0.207  1.0
  F  F16  1  0.847  0.347  0.000  1.0
  F  F17  1  0.347  0.153  0.000  1.0
  F  F18  1  0.653  0.847  0.000  1.0
  F  F19  1  0.153  0.653  0.000  1.0
  F  F20  1  0.608  0.108  0.207  1.0
  F  F21  1  0.108  0.392  0.207  1.0
[/CIF]
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