The material described by Cs3N4H12F3 crystallizes in the cubic I-43d space group. Cs(1) is bonded in a 20-coordinate geometry to four equivalent N(1), twelve equivalent H(1), and four equivalent F(1) atoms. N(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cs(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(1) atom. F(1) is bonded in a 4-coordinate geometry to four equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3H12N4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.081
_cell_length_b   9.081
_cell_length_c   9.081
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   576.538
_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  0.250  0.125  0.875  1.0
  Cs  Cs1  1  0.750  0.375  0.625  1.0
  Cs  Cs2  1  0.375  0.625  0.750  1.0
  Cs  Cs3  1  0.125  0.875  0.250  1.0
  Cs  Cs4  1  0.625  0.750  0.375  1.0
  Cs  Cs5  1  0.875  0.250  0.125  1.0
  H  H6  1  0.712  0.627  0.044  1.0
  H  H7  1  0.417  0.873  0.585  1.0
  H  H8  1  0.083  0.668  0.456  1.0
  H  H9  1  0.788  0.832  0.915  1.0
  H  H10  1  0.544  0.127  0.212  1.0
  H  H11  1  0.085  0.373  0.917  1.0
  H  H12  1  0.956  0.168  0.583  1.0
  H  H13  1  0.415  0.332  0.288  1.0
  H  H14  1  0.627  0.044  0.712  1.0
  H  H15  1  0.873  0.585  0.417  1.0
  H  H16  1  0.668  0.456  0.083  1.0
  H  H17  1  0.832  0.915  0.788  1.0
  H  H18  1  0.127  0.212  0.544  1.0
  H  H19  1  0.373  0.917  0.085  1.0
  H  H20  1  0.168  0.583  0.956  1.0
  H  H21  1  0.332  0.288  0.415  1.0
  H  H22  1  0.044  0.712  0.627  1.0
  H  H23  1  0.585  0.417  0.873  1.0
  H  H24  1  0.456  0.083  0.668  1.0
  H  H25  1  0.915  0.788  0.832  1.0
  H  H26  1  0.212  0.544  0.127  1.0
  H  H27  1  0.917  0.085  0.373  1.0
  H  H28  1  0.583  0.956  0.168  1.0
  H  H29  1  0.288  0.415  0.332  1.0
  N  N30  1  0.698  0.500  0.000  1.0
  N  N31  1  0.500  0.000  0.698  1.0
  N  N32  1  0.000  0.698  0.500  1.0
  N  N33  1  0.802  0.802  0.802  1.0
  N  N34  1  0.500  0.000  0.198  1.0
  N  N35  1  0.198  0.500  0.000  1.0
  N  N36  1  0.000  0.198  0.500  1.0
  N  N37  1  0.302  0.302  0.302  1.0
  F  F38  1  0.750  0.875  0.125  1.0
  F  F39  1  0.250  0.625  0.375  1.0
  F  F40  1  0.625  0.375  0.250  1.0
  F  F41  1  0.875  0.125  0.750  1.0
  F  F42  1  0.375  0.250  0.625  1.0
  F  F43  1  0.125  0.750  0.875  1.0
[/CIF]
.
The material described by Cs3N4H12F3 crystallizes in the cubic I-43d space group. Cs(1) is bonded in a 20-coordinate geometry to four equivalent N(1), twelve equivalent H(1), and four equivalent F(1) atoms. N(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cs(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(1) atom. F(1) is bonded in a 4-coordinate geometry to four equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3H12N4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.081
_cell_length_b   9.081
_cell_length_c   9.081
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   576.538
_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  0.250  0.125  0.875  1.0
  Cs  Cs1  1  0.750  0.375  0.625  1.0
  Cs  Cs2  1  0.375  0.625  0.750  1.0
  Cs  Cs3  1  0.125  0.875  0.250  1.0
  Cs  Cs4  1  0.625  0.750  0.375  1.0
  Cs  Cs5  1  0.875  0.250  0.125  1.0
  H  H6  1  0.712  0.627  0.044  1.0
  H  H7  1  0.417  0.873  0.585  1.0
  H  H8  1  0.083  0.668  0.456  1.0
  H  H9  1  0.788  0.832  0.915  1.0
  H  H10  1  0.544  0.127  0.212  1.0
  H  H11  1  0.085  0.373  0.917  1.0
  H  H12  1  0.956  0.168  0.583  1.0
  H  H13  1  0.415  0.332  0.288  1.0
  H  H14  1  0.627  0.044  0.712  1.0
  H  H15  1  0.873  0.585  0.417  1.0
  H  H16  1  0.668  0.456  0.083  1.0
  H  H17  1  0.832  0.915  0.788  1.0
  H  H18  1  0.127  0.212  0.544  1.0
  H  H19  1  0.373  0.917  0.085  1.0
  H  H20  1  0.168  0.583  0.956  1.0
  H  H21  1  0.332  0.288  0.415  1.0
  H  H22  1  0.044  0.712  0.627  1.0
  H  H23  1  0.585  0.417  0.873  1.0
  H  H24  1  0.456  0.083  0.668  1.0
  H  H25  1  0.915  0.788  0.832  1.0
  H  H26  1  0.212  0.544  0.127  1.0
  H  H27  1  0.917  0.085  0.373  1.0
  H  H28  1  0.583  0.956  0.168  1.0
  H  H29  1  0.288  0.415  0.332  1.0
  N  N30  1  0.698  0.500  0.000  1.0
  N  N31  1  0.500  0.000  0.698  1.0
  N  N32  1  0.000  0.698  0.500  1.0
  N  N33  1  0.802  0.802  0.802  1.0
  N  N34  1  0.500  0.000  0.198  1.0
  N  N35  1  0.198  0.500  0.000  1.0
  N  N36  1  0.000  0.198  0.500  1.0
  N  N37  1  0.302  0.302  0.302  1.0
  F  F38  1  0.750  0.875  0.125  1.0
  F  F39  1  0.250  0.625  0.375  1.0
  F  F40  1  0.625  0.375  0.250  1.0
  F  F41  1  0.875  0.125  0.750  1.0
  F  F42  1  0.375  0.250  0.625  1.0
  F  F43  1  0.125  0.750  0.875  1.0
[/CIF]
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