The crystal structure described by PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to two equivalent K(2), three equivalent K(1), and two equivalent P(2) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to three equivalent K(1), three equivalent K(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_KP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.541
_cell_length_c   11.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.680
_cell_formula_units_Z   8
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  0.649  0.632  0.165  1.0
  K  K1  1  0.149  0.368  0.335  1.0
  K  K2  1  0.851  0.132  0.835  1.0
  K  K3  1  0.351  0.868  0.665  1.0
  K  K4  1  0.917  0.897  0.468  1.0
  K  K5  1  0.417  0.103  0.032  1.0
  K  K6  1  0.583  0.397  0.532  1.0
  K  K7  1  0.083  0.603  0.968  1.0
  P  P8  1  0.417  0.937  0.351  1.0
  P  P9  1  0.917  0.063  0.149  1.0
  P  P10  1  0.083  0.437  0.649  1.0
  P  P11  1  0.583  0.563  0.851  1.0
  P  P12  1  0.156  0.832  0.221  1.0
  P  P13  1  0.656  0.168  0.279  1.0
  P  P14  1  0.344  0.332  0.779  1.0
  P  P15  1  0.844  0.668  0.721  1.0
[/CIF]
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The crystal structure described by PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to two equivalent K(2), three equivalent K(1), and two equivalent P(2) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to three equivalent K(1), three equivalent K(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_KP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.541
_cell_length_c   11.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.680
_cell_formula_units_Z   8
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  0.649  0.632  0.165  1.0
  K  K1  1  0.149  0.368  0.335  1.0
  K  K2  1  0.851  0.132  0.835  1.0
  K  K3  1  0.351  0.868  0.665  1.0
  K  K4  1  0.917  0.897  0.468  1.0
  K  K5  1  0.417  0.103  0.032  1.0
  K  K6  1  0.583  0.397  0.532  1.0
  K  K7  1  0.083  0.603  0.968  1.0
  P  P8  1  0.417  0.937  0.351  1.0
  P  P9  1  0.917  0.063  0.149  1.0
  P  P10  1  0.083  0.437  0.649  1.0
  P  P11  1  0.583  0.563  0.851  1.0
  P  P12  1  0.156  0.832  0.221  1.0
  P  P13  1  0.656  0.168  0.279  1.0
  P  P14  1  0.344  0.332  0.779  1.0
  P  P15  1  0.844  0.668  0.721  1.0
[/CIF]
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