The material structure described by K2P3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent P(2) and six equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing KP8 hexagonal bipyramids. In the second K site, K(2) is bonded in a 10-coordinate geometry to four equivalent P(2) and six equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 8-coordinate geometry to two equivalent K(1), four equivalent K(2), and two equivalent P(1) atoms. In the second P site, P(1) is bonded in a 8-coordinate geometry to three equivalent K(1), three equivalent K(2), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_K2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.317
_cell_length_b   8.477
_cell_length_c   10.238
_cell_angle_alpha   78.505
_cell_angle_beta   66.033
_cell_angle_gamma   60.622
_symmetry_Int_Tables_number   1
_cell_volume   574.782
_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
  K  K0  1  0.250  0.250  0.501  1.0
  K  K1  1  0.500  0.250  0.999  1.0
  K  K2  1  0.988  0.750  0.023  1.0
  K  K3  1  0.262  0.750  0.477  1.0
  K  K4  1  0.738  0.250  0.523  1.0
  K  K5  1  0.500  0.750  0.001  1.0
  K  K6  1  0.750  0.750  0.499  1.0
  K  K7  1  0.012  0.250  0.977  1.0
  P  P8  1  0.420  0.604  0.754  1.0
  P  P9  1  0.020  0.960  0.250  1.0
  P  P10  1  0.270  0.460  0.750  1.0
  P  P11  1  0.174  0.104  0.246  1.0
  P  P12  1  0.980  0.040  0.750  1.0
  P  P13  1  0.279  0.896  0.746  1.0
  P  P14  1  0.721  0.104  0.254  1.0
  P  P15  1  0.730  0.540  0.250  1.0
  P  P16  1  0.975  0.604  0.746  1.0
  P  P17  1  0.580  0.396  0.246  1.0
  P  P18  1  0.826  0.896  0.754  1.0
  P  P19  1  0.025  0.396  0.254  1.0
[/CIF]
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The material structure described by K2P3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent P(2) and six equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing KP8 hexagonal bipyramids. In the second K site, K(2) is bonded in a 10-coordinate geometry to four equivalent P(2) and six equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 8-coordinate geometry to two equivalent K(1), four equivalent K(2), and two equivalent P(1) atoms. In the second P site, P(1) is bonded in a 8-coordinate geometry to three equivalent K(1), three equivalent K(2), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_K2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.317
_cell_length_b   8.477
_cell_length_c   10.238
_cell_angle_alpha   78.505
_cell_angle_beta   66.033
_cell_angle_gamma   60.622
_symmetry_Int_Tables_number   1
_cell_volume   574.782
_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
  K  K0  1  0.250  0.250  0.501  1.0
  K  K1  1  0.500  0.250  0.999  1.0
  K  K2  1  0.988  0.750  0.023  1.0
  K  K3  1  0.262  0.750  0.477  1.0
  K  K4  1  0.738  0.250  0.523  1.0
  K  K5  1  0.500  0.750  0.001  1.0
  K  K6  1  0.750  0.750  0.499  1.0
  K  K7  1  0.012  0.250  0.977  1.0
  P  P8  1  0.420  0.604  0.754  1.0
  P  P9  1  0.020  0.960  0.250  1.0
  P  P10  1  0.270  0.460  0.750  1.0
  P  P11  1  0.174  0.104  0.246  1.0
  P  P12  1  0.980  0.040  0.750  1.0
  P  P13  1  0.279  0.896  0.746  1.0
  P  P14  1  0.721  0.104  0.254  1.0
  P  P15  1  0.730  0.540  0.250  1.0
  P  P16  1  0.975  0.604  0.746  1.0
  P  P17  1  0.580  0.396  0.246  1.0
  P  P18  1  0.826  0.896  0.754  1.0
  P  P19  1  0.025  0.396  0.254  1.0
[/CIF]
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