The material structure described by KZn4P3 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent K(1), one Zn(1), and three equivalent Zn(2) atoms. In the second P site, P(2) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_KZn4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.654
_cell_length_b   11.654
_cell_length_c   11.654
_cell_angle_alpha   19.839
_cell_angle_beta   19.839
_cell_angle_gamma   19.839
_symmetry_Int_Tables_number   1
_cell_volume   159.465
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.696  0.696  0.696  1.0
  Zn  Zn2  1  0.304  0.304  0.304  1.0
  Zn  Zn3  1  0.914  0.914  0.914  1.0
  Zn  Zn4  1  0.086  0.086  0.086  1.0
  P  P5  1  0.765  0.765  0.765  1.0
  P  P6  1  0.235  0.235  0.235  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by KZn4P3 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent K(1), one Zn(1), and three equivalent Zn(2) atoms. In the second P site, P(2) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_KZn4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.654
_cell_length_b   11.654
_cell_length_c   11.654
_cell_angle_alpha   19.839
_cell_angle_beta   19.839
_cell_angle_gamma   19.839
_symmetry_Int_Tables_number   1
_cell_volume   159.465
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.696  0.696  0.696  1.0
  Zn  Zn2  1  0.304  0.304  0.304  1.0
  Zn  Zn3  1  0.914  0.914  0.914  1.0
  Zn  Zn4  1  0.086  0.086  0.086  1.0
  P  P5  1  0.765  0.765  0.765  1.0
  P  P6  1  0.235  0.235  0.235  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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