The material described by Ni4Ga3Si crystallizes in the trigonal R3 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to six equivalent Ga(1) and one Si(1) atom. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to five equivalent Ga(1) and two equivalent Si(1) atoms. Ga(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), five equivalent Ni(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 13-coordinate geometry to one Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ga3SiNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.610
_cell_length_b   4.610
_cell_length_c   4.610
_cell_angle_alpha   90.914
_cell_angle_beta   90.914
_cell_angle_gamma   90.914
_symmetry_Int_Tables_number   1
_cell_volume   97.938
_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  0.343  0.157  0.653  1.0
  Ga  Ga1  1  0.157  0.653  0.343  1.0
  Ga  Ga2  1  0.653  0.343  0.157  1.0
  Si  Si3  1  0.841  0.841  0.841  1.0
  Ni  Ni4  1  0.135  0.135  0.135  1.0
  Ni  Ni5  1  0.654  0.857  0.360  1.0
  Ni  Ni6  1  0.857  0.360  0.654  1.0
  Ni  Ni7  1  0.360  0.654  0.857  1.0
[/CIF]
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The material described by Ni4Ga3Si crystallizes in the trigonal R3 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to six equivalent Ga(1) and one Si(1) atom. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to five equivalent Ga(1) and two equivalent Si(1) atoms. Ga(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), five equivalent Ni(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 13-coordinate geometry to one Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ga3SiNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.610
_cell_length_b   4.610
_cell_length_c   4.610
_cell_angle_alpha   90.914
_cell_angle_beta   90.914
_cell_angle_gamma   90.914
_symmetry_Int_Tables_number   1
_cell_volume   97.938
_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  0.343  0.157  0.653  1.0
  Ga  Ga1  1  0.157  0.653  0.343  1.0
  Ga  Ga2  1  0.653  0.343  0.157  1.0
  Si  Si3  1  0.841  0.841  0.841  1.0
  Ni  Ni4  1  0.135  0.135  0.135  1.0
  Ni  Ni5  1  0.654  0.857  0.360  1.0
  Ni  Ni6  1  0.857  0.360  0.654  1.0
  Ni  Ni7  1  0.360  0.654  0.857  1.0
[/CIF]
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