The structure described by CsVF4 crystallizes in the monoclinic P2/c 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), four equivalent F(3), and four equivalent F(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cs(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(2) atom. is represented by the CIF file [CIF]
data_CsVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   7.737
_cell_length_c   7.727
_cell_angle_alpha   89.655
_cell_angle_beta   90.001
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   393.143
_cell_formula_units_Z   4
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  0.548  0.500  0.500  1.0
  Cs  Cs1  1  0.452  1.000  0.000  1.0
  Cs  Cs2  1  0.489  0.500  0.000  1.0
  Cs  Cs3  1  0.511  1.000  0.500  1.0
  V  V4  1  0.000  0.250  0.250  1.0
  V  V5  1  1.000  0.750  0.250  1.0
  V  V6  1  1.000  0.250  0.750  1.0
  V  V7  1  0.000  0.750  0.750  1.0
  F  F8  1  0.967  0.504  0.298  1.0
  F  F9  1  0.967  0.495  0.702  1.0
  F  F10  1  0.033  0.995  0.202  1.0
  F  F11  1  0.033  0.004  0.798  1.0
  F  F12  1  0.966  0.200  0.495  1.0
  F  F13  1  0.966  0.800  0.505  1.0
  F  F14  1  0.034  0.300  0.005  1.0
  F  F15  1  0.034  0.700  0.995  1.0
  F  F16  1  0.715  0.234  0.223  1.0
  F  F17  1  0.715  0.769  0.225  1.0
  F  F18  1  0.715  0.231  0.775  1.0
  F  F19  1  0.715  0.766  0.777  1.0
  F  F20  1  0.285  0.266  0.277  1.0
  F  F21  1  0.285  0.731  0.275  1.0
  F  F22  1  0.285  0.269  0.725  1.0
  F  F23  1  0.285  0.734  0.723  1.0
[/CIF]
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The structure described by CsVF4 crystallizes in the monoclinic P2/c 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), four equivalent F(3), and four equivalent F(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cs(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one V(2) atom. is represented by the CIF file [CIF]
data_CsVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   7.737
_cell_length_c   7.727
_cell_angle_alpha   89.655
_cell_angle_beta   90.001
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   393.143
_cell_formula_units_Z   4
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  0.548  0.500  0.500  1.0
  Cs  Cs1  1  0.452  1.000  0.000  1.0
  Cs  Cs2  1  0.489  0.500  0.000  1.0
  Cs  Cs3  1  0.511  1.000  0.500  1.0
  V  V4  1  0.000  0.250  0.250  1.0
  V  V5  1  1.000  0.750  0.250  1.0
  V  V6  1  1.000  0.250  0.750  1.0
  V  V7  1  0.000  0.750  0.750  1.0
  F  F8  1  0.967  0.504  0.298  1.0
  F  F9  1  0.967  0.495  0.702  1.0
  F  F10  1  0.033  0.995  0.202  1.0
  F  F11  1  0.033  0.004  0.798  1.0
  F  F12  1  0.966  0.200  0.495  1.0
  F  F13  1  0.966  0.800  0.505  1.0
  F  F14  1  0.034  0.300  0.005  1.0
  F  F15  1  0.034  0.700  0.995  1.0
  F  F16  1  0.715  0.234  0.223  1.0
  F  F17  1  0.715  0.769  0.225  1.0
  F  F18  1  0.715  0.231  0.775  1.0
  F  F19  1  0.715  0.766  0.777  1.0
  F  F20  1  0.285  0.266  0.277  1.0
  F  F21  1  0.285  0.731  0.275  1.0
  F  F22  1  0.285  0.269  0.725  1.0
  F  F23  1  0.285  0.734  0.723  1.0
[/CIF]
.