The material described by (P)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure consists of four 1333-74-0 atoms inside a P framework. In the P framework, there are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent P(2) atoms to form a mixture of corner and edge-sharing PP4 tetrahedra. In the second P site, P(2) is bonded in a body-centered cubic geometry to eight equivalent P(1) atoms. is represented by the CIF card [CIF]
data_P3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.058
_cell_length_b   4.058
_cell_length_c   4.058
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   47.236
_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
  P  P0  1  0.750  0.750  0.750  1.0
  P  P1  1  0.250  0.250  0.250  1.0
  P  P2  1  0.500  0.500  0.500  1.0
  H  H3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by (P)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure consists of four 1333-74-0 atoms inside a P framework. In the P framework, there are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent P(2) atoms to form a mixture of corner and edge-sharing PP4 tetrahedra. In the second P site, P(2) is bonded in a body-centered cubic geometry to eight equivalent P(1) atoms. is represented by the CIF card [CIF]
data_P3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.058
_cell_length_b   4.058
_cell_length_c   4.058
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   47.236
_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
  P  P0  1  0.750  0.750  0.750  1.0
  P  P1  1  0.250  0.250  0.250  1.0
  P  P2  1  0.500  0.500  0.500  1.0
  H  H3  1  0.000  0.000  0.000  1.0
[/CIF]
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