The structure described by GaSi3 crystallizes in the tetragonal I4/mmm space group. Ga(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a square co-planar geometry to four equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_GaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.314
_cell_length_c   5.314
_cell_angle_alpha   139.118
_cell_angle_beta   139.118
_cell_angle_gamma   59.195
_symmetry_Int_Tables_number   1
_cell_volume   63.641
_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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by GaSi3 crystallizes in the tetragonal I4/mmm space group. Ga(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a square co-planar geometry to four equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_GaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.314
_cell_length_c   5.314
_cell_angle_alpha   139.118
_cell_angle_beta   139.118
_cell_angle_gamma   59.195
_symmetry_Int_Tables_number   1
_cell_volume   63.641
_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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
[/CIF]
.