The crystal structure described by FeVSb crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to six equivalent Fe(1) and five equivalent Sb(1) atoms to form distorted VFe6Sb5 trigonal bipyramids that share corners with eight equivalent V(1)Fe6Sb5 trigonal bipyramids, corners with twelve equivalent Sb(1)V5Fe6 trigonal bipyramids, edges with three equivalent Sb(1)V5Fe6 trigonal bipyramids, faces with five equivalent Sb(1)V5Fe6 trigonal bipyramids, and faces with twelve equivalent V(1)Fe6Sb5 trigonal bipyramids. Fe(1) is bonded in a 14-coordinate geometry to six equivalent V(1), two equivalent Fe(1), and six equivalent Sb(1) atoms. Sb(1) is bonded to five equivalent V(1) and six equivalent Fe(1) atoms to form distorted SbV5Fe6 trigonal bipyramids that share corners with eight equivalent Sb(1)V5Fe6 trigonal bipyramids, corners with twelve equivalent V(1)Fe6Sb5 trigonal bipyramids, edges with three equivalent V(1)Fe6Sb5 trigonal bipyramids, faces with five equivalent V(1)Fe6Sb5 trigonal bipyramids, and faces with twelve equivalent Sb(1)V5Fe6 trigonal bipyramids. is represented by the CIF file [CIF]
data_VFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.549
_cell_length_b   4.549
_cell_length_c   5.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.353
_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
  V  V0  1  0.333  0.667  0.750  1.0
  V  V1  1  0.667  0.333  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by FeVSb crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to six equivalent Fe(1) and five equivalent Sb(1) atoms to form distorted VFe6Sb5 trigonal bipyramids that share corners with eight equivalent V(1)Fe6Sb5 trigonal bipyramids, corners with twelve equivalent Sb(1)V5Fe6 trigonal bipyramids, edges with three equivalent Sb(1)V5Fe6 trigonal bipyramids, faces with five equivalent Sb(1)V5Fe6 trigonal bipyramids, and faces with twelve equivalent V(1)Fe6Sb5 trigonal bipyramids. Fe(1) is bonded in a 14-coordinate geometry to six equivalent V(1), two equivalent Fe(1), and six equivalent Sb(1) atoms. Sb(1) is bonded to five equivalent V(1) and six equivalent Fe(1) atoms to form distorted SbV5Fe6 trigonal bipyramids that share corners with eight equivalent Sb(1)V5Fe6 trigonal bipyramids, corners with twelve equivalent V(1)Fe6Sb5 trigonal bipyramids, edges with three equivalent V(1)Fe6Sb5 trigonal bipyramids, faces with five equivalent V(1)Fe6Sb5 trigonal bipyramids, and faces with twelve equivalent Sb(1)V5Fe6 trigonal bipyramids. is represented by the CIF file [CIF]
data_VFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.549
_cell_length_b   4.549
_cell_length_c   5.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.353
_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
  V  V0  1  0.333  0.667  0.750  1.0
  V  V1  1  0.667  0.333  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
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