The material described by Np3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(2) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpNp4B4 tetrahedra. In the second Np site, Np(2) is bonded in a 14-coordinate geometry to eight equivalent Np(1) and six equivalent B(1) atoms. B(1) is bonded in a distorted body-centered cubic geometry to six equivalent Np(2) and eight equivalent Np(1) atoms. is represented by the CIF file [CIF]
data_Np3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.418
_cell_length_c   4.418
_cell_angle_alpha   60.006
_cell_angle_beta   60.005
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   60.966
_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
  Np  Np0  1  0.000  1.000  0.000  1.0
  Np  Np1  1  0.500  0.500  0.500  1.0
  Np  Np2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by Np3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(2) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpNp4B4 tetrahedra. In the second Np site, Np(2) is bonded in a 14-coordinate geometry to eight equivalent Np(1) and six equivalent B(1) atoms. B(1) is bonded in a distorted body-centered cubic geometry to six equivalent Np(2) and eight equivalent Np(1) atoms. is represented by the CIF file [CIF]
data_Np3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.418
_cell_length_c   4.418
_cell_angle_alpha   60.006
_cell_angle_beta   60.005
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   60.966
_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
  Np  Np0  1  0.000  1.000  0.000  1.0
  Np  Np1  1  0.500  0.500  0.500  1.0
  Np  Np2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.750  0.750  0.750  1.0
[/CIF]
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