The material described by Nb10Ge6C crystallizes in the trigonal P-31m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to five equivalent Ge(1) and one C(1) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(3) and six equivalent Ge(1) atoms. In the third Nb site, Nb(3) is bonded in a 8-coordinate geometry to two equivalent Nb(2) and six equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nb(2), two equivalent Nb(3), and five equivalent Nb(1) atoms. C(1) is bonded in an octahedral geometry to six equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb10Ge6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.697
_cell_length_b   7.697
_cell_length_c   5.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.719
_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  0.000  0.762  0.257  1.0
  Nb  Nb1  1  0.238  0.238  0.257  1.0
  Nb  Nb2  1  0.762  0.000  0.257  1.0
  Nb  Nb3  1  0.000  0.238  0.743  1.0
  Nb  Nb4  1  0.762  0.762  0.743  1.0
  Nb  Nb5  1  0.238  0.000  0.743  1.0
  Nb  Nb6  1  0.333  0.667  0.000  1.0
  Nb  Nb7  1  0.667  0.333  0.000  1.0
  Nb  Nb8  1  0.667  0.333  0.500  1.0
  Nb  Nb9  1  0.333  0.667  0.500  1.0
  Ge  Ge10  1  0.000  0.398  0.244  1.0
  Ge  Ge11  1  0.602  0.602  0.244  1.0
  Ge  Ge12  1  0.398  0.000  0.244  1.0
  Ge  Ge13  1  0.000  0.602  0.756  1.0
  Ge  Ge14  1  0.398  0.398  0.756  1.0
  Ge  Ge15  1  0.602  0.000  0.756  1.0
  C  C16  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Nb10Ge6C crystallizes in the trigonal P-31m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to five equivalent Ge(1) and one C(1) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(3) and six equivalent Ge(1) atoms. In the third Nb site, Nb(3) is bonded in a 8-coordinate geometry to two equivalent Nb(2) and six equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nb(2), two equivalent Nb(3), and five equivalent Nb(1) atoms. C(1) is bonded in an octahedral geometry to six equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb10Ge6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.697
_cell_length_b   7.697
_cell_length_c   5.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.719
_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  0.000  0.762  0.257  1.0
  Nb  Nb1  1  0.238  0.238  0.257  1.0
  Nb  Nb2  1  0.762  0.000  0.257  1.0
  Nb  Nb3  1  0.000  0.238  0.743  1.0
  Nb  Nb4  1  0.762  0.762  0.743  1.0
  Nb  Nb5  1  0.238  0.000  0.743  1.0
  Nb  Nb6  1  0.333  0.667  0.000  1.0
  Nb  Nb7  1  0.667  0.333  0.000  1.0
  Nb  Nb8  1  0.667  0.333  0.500  1.0
  Nb  Nb9  1  0.333  0.667  0.500  1.0
  Ge  Ge10  1  0.000  0.398  0.244  1.0
  Ge  Ge11  1  0.602  0.602  0.244  1.0
  Ge  Ge12  1  0.398  0.000  0.244  1.0
  Ge  Ge13  1  0.000  0.602  0.756  1.0
  Ge  Ge14  1  0.398  0.398  0.756  1.0
  Ge  Ge15  1  0.602  0.000  0.756  1.0
  C  C16  1  0.000  0.000  0.500  1.0
[/CIF]
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