The structure described by Nb4Zn2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Zn(1) and two equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent Zn(1) atoms to form distorted edge-sharing NbZn6 cuboctahedra. Zn(1) is bonded in a 12-coordinate geometry to three equivalent Nb(2), six equivalent Nb(1), and three equivalent Zn(1) atoms. C(1) is bonded to six equivalent Nb(1) atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4Zn2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   8.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.647
_cell_formula_units_Z   4
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  0.810  0.190  0.810  1.0
  Nb  Nb1  1  0.060  0.440  0.440  1.0
  Nb  Nb2  1  0.440  0.060  0.060  1.0
  Nb  Nb3  1  0.060  0.440  0.060  1.0
  Nb  Nb4  1  0.440  0.440  0.060  1.0
  Nb  Nb5  1  0.060  0.060  0.440  1.0
  Nb  Nb6  1  0.810  0.810  0.190  1.0
  Nb  Nb7  1  0.190  0.810  0.810  1.0
  Nb  Nb8  1  0.810  0.190  0.190  1.0
  Nb  Nb9  1  0.190  0.190  0.810  1.0
  Nb  Nb10  1  0.440  0.060  0.440  1.0
  Nb  Nb11  1  0.190  0.810  0.190  1.0
  Nb  Nb12  1  0.625  0.625  0.625  1.0
  Nb  Nb13  1  0.125  0.625  0.625  1.0
  Nb  Nb14  1  0.625  0.125  0.625  1.0
  Nb  Nb15  1  0.625  0.625  0.125  1.0
  Zn  Zn16  1  0.411  0.411  0.411  1.0
  Zn  Zn17  1  0.482  0.839  0.839  1.0
  Zn  Zn18  1  0.839  0.482  0.839  1.0
  Zn  Zn19  1  0.839  0.839  0.482  1.0
  Zn  Zn20  1  0.411  0.768  0.411  1.0
  Zn  Zn21  1  0.411  0.411  0.768  1.0
  Zn  Zn22  1  0.768  0.411  0.411  1.0
  Zn  Zn23  1  0.839  0.839  0.839  1.0
  C  C24  1  0.125  0.125  0.125  1.0
  C  C25  1  0.625  0.125  0.125  1.0
  C  C26  1  0.125  0.625  0.125  1.0
  C  C27  1  0.125  0.125  0.625  1.0
[/CIF]
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The structure described by Nb4Zn2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Zn(1) and two equivalent C(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent Zn(1) atoms to form distorted edge-sharing NbZn6 cuboctahedra. Zn(1) is bonded in a 12-coordinate geometry to three equivalent Nb(2), six equivalent Nb(1), and three equivalent Zn(1) atoms. C(1) is bonded to six equivalent Nb(1) atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb4Zn2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   8.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.647
_cell_formula_units_Z   4
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  0.810  0.190  0.810  1.0
  Nb  Nb1  1  0.060  0.440  0.440  1.0
  Nb  Nb2  1  0.440  0.060  0.060  1.0
  Nb  Nb3  1  0.060  0.440  0.060  1.0
  Nb  Nb4  1  0.440  0.440  0.060  1.0
  Nb  Nb5  1  0.060  0.060  0.440  1.0
  Nb  Nb6  1  0.810  0.810  0.190  1.0
  Nb  Nb7  1  0.190  0.810  0.810  1.0
  Nb  Nb8  1  0.810  0.190  0.190  1.0
  Nb  Nb9  1  0.190  0.190  0.810  1.0
  Nb  Nb10  1  0.440  0.060  0.440  1.0
  Nb  Nb11  1  0.190  0.810  0.190  1.0
  Nb  Nb12  1  0.625  0.625  0.625  1.0
  Nb  Nb13  1  0.125  0.625  0.625  1.0
  Nb  Nb14  1  0.625  0.125  0.625  1.0
  Nb  Nb15  1  0.625  0.625  0.125  1.0
  Zn  Zn16  1  0.411  0.411  0.411  1.0
  Zn  Zn17  1  0.482  0.839  0.839  1.0
  Zn  Zn18  1  0.839  0.482  0.839  1.0
  Zn  Zn19  1  0.839  0.839  0.482  1.0
  Zn  Zn20  1  0.411  0.768  0.411  1.0
  Zn  Zn21  1  0.411  0.411  0.768  1.0
  Zn  Zn22  1  0.768  0.411  0.411  1.0
  Zn  Zn23  1  0.839  0.839  0.839  1.0
  C  C24  1  0.125  0.125  0.125  1.0
  C  C25  1  0.625  0.125  0.125  1.0
  C  C26  1  0.125  0.625  0.125  1.0
  C  C27  1  0.125  0.125  0.625  1.0
[/CIF]
.