The material described by Zr2MoCo3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to three equivalent Mo(1) and nine equivalent Co(1) atoms. Mo(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form MoZr6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Zr6Co4Mo2 cuboctahedra, edges with six equivalent Mo(1)Zr6Co6 cuboctahedra, faces with two equivalent Mo(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Co4Mo2 cuboctahedra. Co(1) is bonded to six equivalent Zr(1), two equivalent Mo(1), and four equivalent Co(1) atoms to form distorted CoZr6Co4Mo2 cuboctahedra that share corners with four equivalent Mo(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Co4Mo2 cuboctahedra, edges with six equivalent Co(1)Zr6Co4Mo2 cuboctahedra, faces with six equivalent Mo(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Co4Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Co3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.055
_cell_length_b   5.055
_cell_length_c   8.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.908
_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  0.437  1.0
  Zr  Zr1  1  0.667  0.333  0.563  1.0
  Zr  Zr2  1  0.667  0.333  0.937  1.0
  Zr  Zr3  1  0.333  0.667  0.063  1.0
  Co  Co4  1  0.828  0.172  0.250  1.0
  Co  Co5  1  0.828  0.656  0.250  1.0
  Co  Co6  1  0.344  0.172  0.250  1.0
  Co  Co7  1  0.172  0.828  0.750  1.0
  Co  Co8  1  0.172  0.344  0.750  1.0
  Co  Co9  1  0.656  0.828  0.750  1.0
  Mo  Mo10  1  0.000  0.000  0.500  1.0
  Mo  Mo11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Zr2MoCo3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to three equivalent Mo(1) and nine equivalent Co(1) atoms. Mo(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form MoZr6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Zr6Co4Mo2 cuboctahedra, edges with six equivalent Mo(1)Zr6Co6 cuboctahedra, faces with two equivalent Mo(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Co4Mo2 cuboctahedra. Co(1) is bonded to six equivalent Zr(1), two equivalent Mo(1), and four equivalent Co(1) atoms to form distorted CoZr6Co4Mo2 cuboctahedra that share corners with four equivalent Mo(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Co4Mo2 cuboctahedra, edges with six equivalent Co(1)Zr6Co4Mo2 cuboctahedra, faces with six equivalent Mo(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Co4Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Co3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.055
_cell_length_b   5.055
_cell_length_c   8.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.908
_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  0.437  1.0
  Zr  Zr1  1  0.667  0.333  0.563  1.0
  Zr  Zr2  1  0.667  0.333  0.937  1.0
  Zr  Zr3  1  0.333  0.667  0.063  1.0
  Co  Co4  1  0.828  0.172  0.250  1.0
  Co  Co5  1  0.828  0.656  0.250  1.0
  Co  Co6  1  0.344  0.172  0.250  1.0
  Co  Co7  1  0.172  0.828  0.750  1.0
  Co  Co8  1  0.172  0.344  0.750  1.0
  Co  Co9  1  0.656  0.828  0.750  1.0
  Mo  Mo10  1  0.000  0.000  0.500  1.0
  Mo  Mo11  1  0.000  0.000  0.000  1.0
[/CIF]
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