The material described by Cs2P3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent P(2) and eight equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one P(1), and one P(2) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Cs2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   8.927
_cell_angle_alpha   111.255
_cell_angle_beta   111.255
_cell_angle_gamma   93.780
_symmetry_Int_Tables_number   1
_cell_volume   362.498
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.714  0.286  0.000  1.0
  Cs  Cs3  1  0.286  0.714  0.000  1.0
  P  P4  1  0.733  0.733  0.858  1.0
  P  P5  1  0.875  0.875  0.142  1.0
  P  P6  1  0.267  0.267  0.142  1.0
  P  P7  1  0.125  0.125  0.858  1.0
  P  P8  1  0.857  0.857  0.715  1.0
  P  P9  1  0.143  0.143  0.285  1.0
[/CIF]
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The material described by Cs2P3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent P(2) and eight equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one P(1), and one P(2) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Cs2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   8.927
_cell_angle_alpha   111.255
_cell_angle_beta   111.255
_cell_angle_gamma   93.780
_symmetry_Int_Tables_number   1
_cell_volume   362.498
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.714  0.286  0.000  1.0
  Cs  Cs3  1  0.286  0.714  0.000  1.0
  P  P4  1  0.733  0.733  0.858  1.0
  P  P5  1  0.875  0.875  0.142  1.0
  P  P6  1  0.267  0.267  0.142  1.0
  P  P7  1  0.125  0.125  0.858  1.0
  P  P8  1  0.857  0.857  0.715  1.0
  P  P9  1  0.143  0.143  0.285  1.0
[/CIF]
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