The material described by Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), six equivalent Zr(2), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Zr3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.704
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.224
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.500  1.0
  Zr  Zr2  1  0.500  0.177  0.677  1.0
  Zr  Zr3  1  0.500  0.323  0.177  1.0
  Zr  Zr4  1  0.500  0.677  0.823  1.0
  Zr  Zr5  1  0.500  0.823  0.323  1.0
  Ga  Ga6  1  0.000  0.377  0.877  1.0
  Ga  Ga7  1  0.000  0.123  0.377  1.0
  Ga  Ga8  1  0.000  0.877  0.623  1.0
  Ga  Ga9  1  0.000  0.623  0.123  1.0
[/CIF]
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The material described by Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), six equivalent Zr(2), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Zr3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.704
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.224
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.500  1.0
  Zr  Zr2  1  0.500  0.177  0.677  1.0
  Zr  Zr3  1  0.500  0.323  0.177  1.0
  Zr  Zr4  1  0.500  0.677  0.823  1.0
  Zr  Zr5  1  0.500  0.823  0.323  1.0
  Ga  Ga6  1  0.000  0.377  0.877  1.0
  Ga  Ga7  1  0.000  0.123  0.377  1.0
  Ga  Ga8  1  0.000  0.877  0.623  1.0
  Ga  Ga9  1  0.000  0.623  0.123  1.0
[/CIF]
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