The structure described by Zr2Co3Ga crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), nine equivalent Co(1), and three equivalent Ga(1) atoms. Co(1) is bonded to six equivalent Zr(1), four equivalent Co(1), and two equivalent Ga(1) atoms to form distorted CoZr6Ga2Co4 cuboctahedra that share corners with four equivalent Ga(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Ga2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Ga2Co4 cuboctahedra, faces with six equivalent Ga(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Ga2Co4 cuboctahedra. Ga(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form GaZr6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Zr6Ga2Co4 cuboctahedra, edges with six equivalent Ga(1)Zr6Co6 cuboctahedra, faces with two equivalent Ga(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Ga2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.045
_cell_length_c   7.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.995
_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  0.333  0.667  0.439  1.0
  Zr  Zr1  1  0.667  0.333  0.561  1.0
  Zr  Zr2  1  0.667  0.333  0.939  1.0
  Zr  Zr3  1  0.333  0.667  0.061  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.829  0.171  0.250  1.0
  Co  Co7  1  0.829  0.657  0.250  1.0
  Co  Co8  1  0.343  0.171  0.250  1.0
  Co  Co9  1  0.171  0.829  0.750  1.0
  Co  Co10  1  0.171  0.343  0.750  1.0
  Co  Co11  1  0.657  0.829  0.750  1.0
[/CIF]
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The structure described by Zr2Co3Ga crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), nine equivalent Co(1), and three equivalent Ga(1) atoms. Co(1) is bonded to six equivalent Zr(1), four equivalent Co(1), and two equivalent Ga(1) atoms to form distorted CoZr6Ga2Co4 cuboctahedra that share corners with four equivalent Ga(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Ga2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Ga2Co4 cuboctahedra, faces with six equivalent Ga(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Ga2Co4 cuboctahedra. Ga(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form GaZr6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Zr6Ga2Co4 cuboctahedra, edges with six equivalent Ga(1)Zr6Co6 cuboctahedra, faces with two equivalent Ga(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Ga2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.045
_cell_length_c   7.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.995
_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  0.333  0.667  0.439  1.0
  Zr  Zr1  1  0.667  0.333  0.561  1.0
  Zr  Zr2  1  0.667  0.333  0.939  1.0
  Zr  Zr3  1  0.333  0.667  0.061  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.829  0.171  0.250  1.0
  Co  Co7  1  0.829  0.657  0.250  1.0
  Co  Co8  1  0.343  0.171  0.250  1.0
  Co  Co9  1  0.171  0.829  0.750  1.0
  Co  Co10  1  0.171  0.343  0.750  1.0
  Co  Co11  1  0.657  0.829  0.750  1.0
[/CIF]
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