The material described by ZrCoGa crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Co(2), four equivalent Co(1), and six equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ga(1) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.956
_cell_length_b   6.956
_cell_length_c   3.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.612
_cell_formula_units_Z   3
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  0.403  0.403  0.500  1.0
  Zr  Zr1  1  0.597  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.597  0.500  1.0
  Ga  Ga3  1  0.737  0.737  0.000  1.0
  Ga  Ga4  1  0.263  0.000  0.000  1.0
  Ga  Ga5  1  0.000  0.263  0.000  1.0
  Co  Co6  1  0.667  0.333  0.000  1.0
  Co  Co7  1  0.333  0.667  0.000  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by ZrCoGa crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Co(2), four equivalent Co(1), and six equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ga(1) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.956
_cell_length_b   6.956
_cell_length_c   3.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.612
_cell_formula_units_Z   3
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  0.403  0.403  0.500  1.0
  Zr  Zr1  1  0.597  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.597  0.500  1.0
  Ga  Ga3  1  0.737  0.737  0.000  1.0
  Ga  Ga4  1  0.263  0.000  0.000  1.0
  Ga  Ga5  1  0.000  0.263  0.000  1.0
  Co  Co6  1  0.667  0.333  0.000  1.0
  Co  Co7  1  0.333  0.667  0.000  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
[/CIF]
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