The material structure described by K4ZnBi2 crystallizes in the orthorhombic C222_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to four equivalent Bi(1) atoms to form KBi4 trigonal pyramids that share corners with four equivalent Zn(1)K3Bi2 trigonal bipyramids, corners with six equivalent K(1)Bi4 trigonal pyramids, and edges with three equivalent K(1)Bi4 trigonal pyramids. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the third K site, K(3) is bonded in a distorted trigonal planar geometry to three equivalent Zn(1) atoms. Zn(1) is bonded to three equivalent K(3) and two equivalent Bi(1) atoms to form distorted ZnK3Bi2 trigonal bipyramids that share corners with six equivalent Zn(1)K3Bi2 trigonal bipyramids and corners with eight equivalent K(1)Bi4 trigonal pyramids. Bi(1) is bonded in a 5-coordinate geometry to three equivalent K(2), four equivalent K(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4ZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   17.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.191
_symmetry_Int_Tables_number   1
_cell_volume   578.365
_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
  K  K0  1  0.228  0.895  0.897  1.0
  K  K1  1  0.895  0.228  0.103  1.0
  K  K2  1  0.772  0.105  0.397  1.0
  K  K3  1  0.105  0.772  0.603  1.0
  K  K4  1  0.567  0.567  0.000  1.0
  K  K5  1  0.433  0.433  0.500  1.0
  K  K6  1  0.501  0.499  0.750  1.0
  K  K7  1  0.499  0.501  0.250  1.0
  Zn  Zn8  1  0.835  0.165  0.750  1.0
  Zn  Zn9  1  0.165  0.835  0.250  1.0
  Bi  Bi10  1  0.897  0.237  0.894  1.0
  Bi  Bi11  1  0.237  0.897  0.106  1.0
  Bi  Bi12  1  0.103  0.763  0.394  1.0
  Bi  Bi13  1  0.763  0.103  0.606  1.0
[/CIF]
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The material structure described by K4ZnBi2 crystallizes in the orthorhombic C222_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to four equivalent Bi(1) atoms to form KBi4 trigonal pyramids that share corners with four equivalent Zn(1)K3Bi2 trigonal bipyramids, corners with six equivalent K(1)Bi4 trigonal pyramids, and edges with three equivalent K(1)Bi4 trigonal pyramids. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the third K site, K(3) is bonded in a distorted trigonal planar geometry to three equivalent Zn(1) atoms. Zn(1) is bonded to three equivalent K(3) and two equivalent Bi(1) atoms to form distorted ZnK3Bi2 trigonal bipyramids that share corners with six equivalent Zn(1)K3Bi2 trigonal bipyramids and corners with eight equivalent K(1)Bi4 trigonal pyramids. Bi(1) is bonded in a 5-coordinate geometry to three equivalent K(2), four equivalent K(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4ZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   17.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.191
_symmetry_Int_Tables_number   1
_cell_volume   578.365
_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
  K  K0  1  0.228  0.895  0.897  1.0
  K  K1  1  0.895  0.228  0.103  1.0
  K  K2  1  0.772  0.105  0.397  1.0
  K  K3  1  0.105  0.772  0.603  1.0
  K  K4  1  0.567  0.567  0.000  1.0
  K  K5  1  0.433  0.433  0.500  1.0
  K  K6  1  0.501  0.499  0.750  1.0
  K  K7  1  0.499  0.501  0.250  1.0
  Zn  Zn8  1  0.835  0.165  0.750  1.0
  Zn  Zn9  1  0.165  0.835  0.250  1.0
  Bi  Bi10  1  0.897  0.237  0.894  1.0
  Bi  Bi11  1  0.237  0.897  0.106  1.0
  Bi  Bi12  1  0.103  0.763  0.394  1.0
  Bi  Bi13  1  0.763  0.103  0.606  1.0
[/CIF]
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