The material structure described by Mo2Zn9Ga3 crystallizes in the trigonal P-3m1 space group. Mo(1) is bonded to three equivalent Zn(1); six Zn(2,2); and three Ga(1,1) atoms to form corner-sharing MoZn9Ga3 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four equivalent Zn(1); and four Zn(2,2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1); two equivalent Zn(1); four Zn(2,2); and two Ga(1,1) atoms. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1); two equivalent Zn(1); four equivalent Zn(2); and two Ga(1,1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four Zn(2,2); and four Ga(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four Zn(2,2); and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn9Ga3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   5.423
_cell_length_c   8.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.644
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.320  0.160  0.241  1.0
  Zn  Zn4  1  0.840  0.160  0.241  1.0
  Zn  Zn5  1  0.840  0.680  0.241  1.0
  Zn  Zn6  1  0.680  0.840  0.759  1.0
  Zn  Zn7  1  0.160  0.840  0.759  1.0
  Zn  Zn8  1  0.160  0.320  0.759  1.0
  Ga  Ga9  1  0.000  0.500  0.500  1.0
  Ga  Ga10  1  0.500  0.500  0.500  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Mo  Mo12  1  0.667  0.333  0.739  1.0
  Mo  Mo13  1  0.333  0.667  0.261  1.0
[/CIF]
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The material structure described by Mo2Zn9Ga3 crystallizes in the trigonal P-3m1 space group. Mo(1) is bonded to three equivalent Zn(1); six Zn(2,2); and three Ga(1,1) atoms to form corner-sharing MoZn9Ga3 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four equivalent Zn(1); and four Zn(2,2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1); two equivalent Zn(1); four Zn(2,2); and two Ga(1,1) atoms. In the third Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1); two equivalent Zn(1); four equivalent Zn(2); and two Ga(1,1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four Zn(2,2); and four Ga(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); four Zn(2,2); and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn9Ga3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   5.423
_cell_length_c   8.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.644
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.320  0.160  0.241  1.0
  Zn  Zn4  1  0.840  0.160  0.241  1.0
  Zn  Zn5  1  0.840  0.680  0.241  1.0
  Zn  Zn6  1  0.680  0.840  0.759  1.0
  Zn  Zn7  1  0.160  0.840  0.759  1.0
  Zn  Zn8  1  0.160  0.320  0.759  1.0
  Ga  Ga9  1  0.000  0.500  0.500  1.0
  Ga  Ga10  1  0.500  0.500  0.500  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Mo  Mo12  1  0.667  0.333  0.739  1.0
  Mo  Mo13  1  0.333  0.667  0.261  1.0
[/CIF]
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