The crystal structure described by Ca2Bi crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to five equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing CaBi5 square pyramids. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent Bi(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   4.851
_cell_length_c   9.173
_cell_angle_alpha   105.333
_cell_angle_beta   105.333
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   200.210
_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
  Ca  Ca0  1  0.674  0.674  0.348  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.326  0.326  0.652  1.0
  Ca  Ca3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.136  0.136  0.272  1.0
  Bi  Bi5  1  0.864  0.864  0.728  1.0
[/CIF]
.
The crystal structure described by Ca2Bi crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to five equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing CaBi5 square pyramids. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent Bi(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   4.851
_cell_length_c   9.173
_cell_angle_alpha   105.333
_cell_angle_beta   105.333
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   200.210
_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
  Ca  Ca0  1  0.674  0.674  0.348  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.326  0.326  0.652  1.0
  Ca  Ca3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.136  0.136  0.272  1.0
  Bi  Bi5  1  0.864  0.864  0.728  1.0
[/CIF]
.