The compound described by NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Re(2) and eight equivalent Re(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Na(1) and four equivalent Re(2) atoms to form a mixture of distorted face, corner, and edge-sharing ReNa4Re4 tetrahedra. In the second Re site, Re(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.420
_cell_length_b   4.420
_cell_length_c   4.420
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.062
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.750  0.750  0.750  1.0
  Re  Re2  1  0.250  0.250  0.250  1.0
  Re  Re3  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Re(2) and eight equivalent Re(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Na(1) and four equivalent Re(2) atoms to form a mixture of distorted face, corner, and edge-sharing ReNa4Re4 tetrahedra. In the second Re site, Re(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.420
_cell_length_b   4.420
_cell_length_c   4.420
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.062
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.750  0.750  0.750  1.0
  Re  Re2  1  0.250  0.250  0.250  1.0
  Re  Re3  1  0.500  0.500  0.500  1.0
[/CIF]
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