The structure described by Nb8Zn4C3 is H-Phase-like structured and 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 3-coordinate geometry to four equivalent Zn(1), one C(2), 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. There are two inequivalent C sites. In the first C site, C(2) is bonded to six equivalent Nb(1) atoms to form face-sharing CNb6 octahedra. In the second C site, C(1) is bonded to six equivalent Nb(1) atoms to form a mixture of corner and face-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb8Zn4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   8.493
_cell_length_c   8.493
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   433.251
_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
  Nb  Nb0  1  0.439  0.439  0.061  1.0
  Nb  Nb1  1  0.439  0.061  0.061  1.0
  Nb  Nb2  1  0.061  0.061  0.439  1.0
  Nb  Nb3  1  0.189  0.189  0.811  1.0
  Nb  Nb4  1  0.061  0.439  0.061  1.0
  Nb  Nb5  1  0.811  0.189  0.189  1.0
  Nb  Nb6  1  0.625  0.625  0.625  1.0
  Nb  Nb7  1  0.189  0.811  0.189  1.0
  Nb  Nb8  1  0.125  0.625  0.625  1.0
  Nb  Nb9  1  0.811  0.189  0.811  1.0
  Nb  Nb10  1  0.439  0.061  0.439  1.0
  Nb  Nb11  1  0.061  0.439  0.439  1.0
  Nb  Nb12  1  0.189  0.811  0.811  1.0
  Nb  Nb13  1  0.625  0.125  0.625  1.0
  Nb  Nb14  1  0.625  0.625  0.125  1.0
  Nb  Nb15  1  0.811  0.811  0.189  1.0
  Zn  Zn16  1  0.837  0.837  0.488  1.0
  Zn  Zn17  1  0.762  0.413  0.413  1.0
  Zn  Zn18  1  0.837  0.488  0.837  1.0
  Zn  Zn19  1  0.413  0.413  0.413  1.0
  Zn  Zn20  1  0.837  0.837  0.837  1.0
  Zn  Zn21  1  0.413  0.762  0.413  1.0
  Zn  Zn22  1  0.488  0.837  0.837  1.0
  Zn  Zn23  1  0.413  0.413  0.762  1.0
  C  C24  1  0.125  0.625  0.125  1.0
  C  C25  1  0.250  0.250  0.250  1.0
  C  C26  1  0.000  0.000  0.000  1.0
  C  C27  1  0.125  0.125  0.125  1.0
  C  C28  1  0.625  0.125  0.125  1.0
  C  C29  1  0.125  0.125  0.625  1.0
[/CIF]
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The structure described by Nb8Zn4C3 is H-Phase-like structured and 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 3-coordinate geometry to four equivalent Zn(1), one C(2), 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. There are two inequivalent C sites. In the first C site, C(2) is bonded to six equivalent Nb(1) atoms to form face-sharing CNb6 octahedra. In the second C site, C(1) is bonded to six equivalent Nb(1) atoms to form a mixture of corner and face-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb8Zn4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   8.493
_cell_length_c   8.493
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   433.251
_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
  Nb  Nb0  1  0.439  0.439  0.061  1.0
  Nb  Nb1  1  0.439  0.061  0.061  1.0
  Nb  Nb2  1  0.061  0.061  0.439  1.0
  Nb  Nb3  1  0.189  0.189  0.811  1.0
  Nb  Nb4  1  0.061  0.439  0.061  1.0
  Nb  Nb5  1  0.811  0.189  0.189  1.0
  Nb  Nb6  1  0.625  0.625  0.625  1.0
  Nb  Nb7  1  0.189  0.811  0.189  1.0
  Nb  Nb8  1  0.125  0.625  0.625  1.0
  Nb  Nb9  1  0.811  0.189  0.811  1.0
  Nb  Nb10  1  0.439  0.061  0.439  1.0
  Nb  Nb11  1  0.061  0.439  0.439  1.0
  Nb  Nb12  1  0.189  0.811  0.811  1.0
  Nb  Nb13  1  0.625  0.125  0.625  1.0
  Nb  Nb14  1  0.625  0.625  0.125  1.0
  Nb  Nb15  1  0.811  0.811  0.189  1.0
  Zn  Zn16  1  0.837  0.837  0.488  1.0
  Zn  Zn17  1  0.762  0.413  0.413  1.0
  Zn  Zn18  1  0.837  0.488  0.837  1.0
  Zn  Zn19  1  0.413  0.413  0.413  1.0
  Zn  Zn20  1  0.837  0.837  0.837  1.0
  Zn  Zn21  1  0.413  0.762  0.413  1.0
  Zn  Zn22  1  0.488  0.837  0.837  1.0
  Zn  Zn23  1  0.413  0.413  0.762  1.0
  C  C24  1  0.125  0.625  0.125  1.0
  C  C25  1  0.250  0.250  0.250  1.0
  C  C26  1  0.000  0.000  0.000  1.0
  C  C27  1  0.125  0.125  0.125  1.0
  C  C28  1  0.625  0.125  0.125  1.0
  C  C29  1  0.125  0.125  0.625  1.0
[/CIF]
.