The material described by KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a 1-coordinate geometry to five equivalent Bi(1) atoms. Ca(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. Bi(1) is bonded in a 9-coordinate geometry to five equivalent K(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.405
_cell_length_c   8.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.104
_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  0.250  0.250  0.866  1.0
  K  K1  1  0.750  0.750  0.134  1.0
  Ca  Ca2  1  0.250  0.750  0.500  1.0
  Ca  Ca3  1  0.750  0.250  0.500  1.0
  Bi  Bi4  1  0.250  0.250  0.291  1.0
  Bi  Bi5  1  0.750  0.750  0.709  1.0
[/CIF]
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The material described by KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a 1-coordinate geometry to five equivalent Bi(1) atoms. Ca(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. Bi(1) is bonded in a 9-coordinate geometry to five equivalent K(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.405
_cell_length_c   8.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.104
_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  0.250  0.250  0.866  1.0
  K  K1  1  0.750  0.750  0.134  1.0
  Ca  Ca2  1  0.250  0.750  0.500  1.0
  Ca  Ca3  1  0.750  0.250  0.500  1.0
  Bi  Bi4  1  0.250  0.250  0.291  1.0
  Bi  Bi5  1  0.750  0.750  0.709  1.0
[/CIF]
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