The material described by Cs3BP2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one B(1) and four equivalent P(1) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent P(1) atoms. B(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Cs(2), and two equivalent P(1) atoms. P(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), five equivalent Cs(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   6.943
_cell_length_c   9.894
_cell_angle_alpha   76.153
_cell_angle_beta   76.153
_cell_angle_gamma   89.360
_symmetry_Int_Tables_number   1
_cell_volume   449.047
_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  0.658  0.342  0.250  1.0
  Cs  Cs1  1  0.342  0.658  0.750  1.0
  Cs  Cs2  1  0.256  0.154  0.021  1.0
  Cs  Cs3  1  0.846  0.744  0.479  1.0
  Cs  Cs4  1  0.744  0.846  0.979  1.0
  Cs  Cs5  1  0.154  0.256  0.521  1.0
  B  B6  1  0.288  0.712  0.250  1.0
  B  B7  1  0.712  0.288  0.750  1.0
  P  P8  1  0.403  0.833  0.351  1.0
  P  P9  1  0.167  0.597  0.149  1.0
  P  P10  1  0.833  0.403  0.851  1.0
  P  P11  1  0.597  0.167  0.649  1.0
[/CIF]
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The material described by Cs3BP2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one B(1) and four equivalent P(1) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent P(1) atoms. B(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Cs(2), and two equivalent P(1) atoms. P(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), five equivalent Cs(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   6.943
_cell_length_c   9.894
_cell_angle_alpha   76.153
_cell_angle_beta   76.153
_cell_angle_gamma   89.360
_symmetry_Int_Tables_number   1
_cell_volume   449.047
_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  0.658  0.342  0.250  1.0
  Cs  Cs1  1  0.342  0.658  0.750  1.0
  Cs  Cs2  1  0.256  0.154  0.021  1.0
  Cs  Cs3  1  0.846  0.744  0.479  1.0
  Cs  Cs4  1  0.744  0.846  0.979  1.0
  Cs  Cs5  1  0.154  0.256  0.521  1.0
  B  B6  1  0.288  0.712  0.250  1.0
  B  B7  1  0.712  0.288  0.750  1.0
  P  P8  1  0.403  0.833  0.351  1.0
  P  P9  1  0.167  0.597  0.149  1.0
  P  P10  1  0.833  0.403  0.851  1.0
  P  P11  1  0.597  0.167  0.649  1.0
[/CIF]
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