The material described by Rb3Si is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Rb(2) and four equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4Si4 tetrahedra. In the second Rb site, Rb(2) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.405
_cell_length_b   6.405
_cell_length_c   6.405
_cell_angle_alpha   121.466
_cell_angle_beta   121.466
_cell_angle_gamma   87.480
_symmetry_Int_Tables_number   1
_cell_volume   181.517
_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
  Rb  Rb0  1  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Rb3Si is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Rb(2) and four equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4Si4 tetrahedra. In the second Rb site, Rb(2) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Rb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.405
_cell_length_b   6.405
_cell_length_c   6.405
_cell_angle_alpha   121.466
_cell_angle_beta   121.466
_cell_angle_gamma   87.480
_symmetry_Int_Tables_number   1
_cell_volume   181.517
_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
  Rb  Rb0  1  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
.