The material structure described by NbMoBi2 crystallizes in the cubic F-43m space group. Nb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1), four equivalent Bi(1), and six equivalent Bi(2) atoms. Mo(1) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Nb(1) and four equivalent Bi(2) atoms to form distorted edge-sharing BiNb4Bi4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to six equivalent Nb(1), four equivalent Mo(1), and four equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_NbBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.994
_cell_length_b   4.994
_cell_length_c   4.994
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   88.060
_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
  Nb  Nb0  1  0.250  0.250  0.250  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.750  0.750  0.750  1.0
  Mo  Mo3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by NbMoBi2 crystallizes in the cubic F-43m space group. Nb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1), four equivalent Bi(1), and six equivalent Bi(2) atoms. Mo(1) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Nb(1) and four equivalent Bi(2) atoms to form distorted edge-sharing BiNb4Bi4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to six equivalent Nb(1), four equivalent Mo(1), and four equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_NbBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.994
_cell_length_b   4.994
_cell_length_c   4.994
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   88.060
_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
  Nb  Nb0  1  0.250  0.250  0.250  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.750  0.750  0.750  1.0
  Mo  Mo3  1  0.500  0.500  0.500  1.0
[/CIF]
.