The structure described by NaSi crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Na(2), four equivalent Na(1), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Na(2), one Si(2), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.317
_cell_length_b   6.317
_cell_length_c   10.865
_cell_angle_alpha   72.983
_cell_angle_beta   72.983
_cell_angle_gamma   62.791
_symmetry_Int_Tables_number   1
_cell_volume   362.225
_cell_formula_units_Z   8
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  0.885  0.349  0.887  1.0
  Na  Na1  1  0.651  0.115  0.613  1.0
  Na  Na2  1  0.115  0.651  0.113  1.0
  Na  Na3  1  0.349  0.885  0.387  1.0
  Na  Na4  1  0.415  0.243  0.905  1.0
  Na  Na5  1  0.757  0.585  0.595  1.0
  Na  Na6  1  0.585  0.757  0.095  1.0
  Na  Na7  1  0.243  0.415  0.405  1.0
  Si  Si8  1  0.153  0.057  0.659  1.0
  Si  Si9  1  0.943  0.847  0.841  1.0
  Si  Si10  1  0.847  0.943  0.341  1.0
  Si  Si11  1  0.057  0.153  0.159  1.0
  Si  Si12  1  0.231  0.635  0.672  1.0
  Si  Si13  1  0.365  0.769  0.828  1.0
  Si  Si14  1  0.769  0.365  0.328  1.0
  Si  Si15  1  0.635  0.231  0.172  1.0
[/CIF]
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The structure described by NaSi crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Na(2), four equivalent Na(1), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Na(2), one Si(2), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.317
_cell_length_b   6.317
_cell_length_c   10.865
_cell_angle_alpha   72.983
_cell_angle_beta   72.983
_cell_angle_gamma   62.791
_symmetry_Int_Tables_number   1
_cell_volume   362.225
_cell_formula_units_Z   8
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  0.885  0.349  0.887  1.0
  Na  Na1  1  0.651  0.115  0.613  1.0
  Na  Na2  1  0.115  0.651  0.113  1.0
  Na  Na3  1  0.349  0.885  0.387  1.0
  Na  Na4  1  0.415  0.243  0.905  1.0
  Na  Na5  1  0.757  0.585  0.595  1.0
  Na  Na6  1  0.585  0.757  0.095  1.0
  Na  Na7  1  0.243  0.415  0.405  1.0
  Si  Si8  1  0.153  0.057  0.659  1.0
  Si  Si9  1  0.943  0.847  0.841  1.0
  Si  Si10  1  0.847  0.943  0.341  1.0
  Si  Si11  1  0.057  0.153  0.159  1.0
  Si  Si12  1  0.231  0.635  0.672  1.0
  Si  Si13  1  0.365  0.769  0.828  1.0
  Si  Si14  1  0.769  0.365  0.328  1.0
  Si  Si15  1  0.635  0.231  0.172  1.0
[/CIF]
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