The crystal structure described by Zr2NiGa3 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to three equivalent Ni(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ni(1), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), two equivalent Ni(1), one Ga(1), and one Ga(3) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ni(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zr2Ga3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.352
_cell_length_c   6.580
_cell_angle_alpha   52.549
_cell_angle_beta   52.549
_cell_angle_gamma   45.829
_symmetry_Int_Tables_number   1
_cell_volume   101.539
_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
  Zr  Zr0  1  0.461  0.461  0.281  1.0
  Zr  Zr1  1  0.544  0.544  0.701  1.0
  Ga  Ga2  1  0.146  0.146  0.325  1.0
  Ga  Ga3  1  0.177  0.177  0.863  1.0
  Ga  Ga4  1  0.839  0.839  0.105  1.0
  Ni  Ni5  1  0.832  0.832  0.724  1.0
[/CIF]
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The crystal structure described by Zr2NiGa3 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to three equivalent Ni(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ni(1), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), two equivalent Ni(1), one Ga(1), and one Ga(3) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ni(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zr2Ga3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.352
_cell_length_c   6.580
_cell_angle_alpha   52.549
_cell_angle_beta   52.549
_cell_angle_gamma   45.829
_symmetry_Int_Tables_number   1
_cell_volume   101.539
_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
  Zr  Zr0  1  0.461  0.461  0.281  1.0
  Zr  Zr1  1  0.544  0.544  0.701  1.0
  Ga  Ga2  1  0.146  0.146  0.325  1.0
  Ga  Ga3  1  0.177  0.177  0.863  1.0
  Ga  Ga4  1  0.839  0.839  0.105  1.0
  Ni  Ni5  1  0.832  0.832  0.724  1.0
[/CIF]
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