The material described by BeNb4 is diamond structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight BeNb4 clusters. Be(1) is bonded in a tetrahedral geometry to four equivalent Nb(1) atoms. Nb(1) is bonded in a distorted single-bond geometry to one Be(1) atom. is represented by the CIF file [CIF]
data_BeNb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.409
_cell_length_c   6.409
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   186.125
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.610  0.610  0.610  1.0
  Nb  Nb3  1  0.171  0.610  0.610  1.0
  Nb  Nb4  1  0.610  0.171  0.610  1.0
  Nb  Nb5  1  0.579  0.140  0.140  1.0
  Nb  Nb6  1  0.140  0.140  0.140  1.0
  Nb  Nb7  1  0.610  0.610  0.171  1.0
  Nb  Nb8  1  0.140  0.579  0.140  1.0
  Nb  Nb9  1  0.140  0.140  0.579  1.0
[/CIF]
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The material described by BeNb4 is diamond structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight BeNb4 clusters. Be(1) is bonded in a tetrahedral geometry to four equivalent Nb(1) atoms. Nb(1) is bonded in a distorted single-bond geometry to one Be(1) atom. is represented by the CIF file [CIF]
data_BeNb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.409
_cell_length_c   6.409
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   186.125
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.610  0.610  0.610  1.0
  Nb  Nb3  1  0.171  0.610  0.610  1.0
  Nb  Nb4  1  0.610  0.171  0.610  1.0
  Nb  Nb5  1  0.579  0.140  0.140  1.0
  Nb  Nb6  1  0.140  0.140  0.140  1.0
  Nb  Nb7  1  0.610  0.610  0.171  1.0
  Nb  Nb8  1  0.140  0.579  0.140  1.0
  Nb  Nb9  1  0.140  0.140  0.579  1.0
[/CIF]
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