The crystal structure described by Zr2Mo3Co is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 12-coordinate geometry to nine equivalent Mo(1) and three equivalent Co(1) atoms. Mo(1) is bonded to six equivalent Zr(1), four equivalent Mo(1), and two equivalent Co(1) atoms to form MoZr6Co2Mo4 cuboctahedra that share corners with four equivalent Co(1)Zr6Mo6 cuboctahedra, corners with fourteen equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, edges with six equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, faces with six equivalent Co(1)Zr6Mo6 cuboctahedra, and faces with twelve equivalent Mo(1)Zr6Co2Mo4 cuboctahedra. Co(1) is bonded to six equivalent Zr(1) and six equivalent Mo(1) atoms to form CoZr6Mo6 cuboctahedra that share corners with six equivalent Co(1)Zr6Mo6 cuboctahedra, corners with twelve equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, edges with six equivalent Co(1)Zr6Mo6 cuboctahedra, and faces with eighteen equivalent Mo(1)Zr6Co2Mo4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2CoMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.353
_cell_length_c   5.353
_cell_angle_alpha   58.443
_cell_angle_beta   58.443
_cell_angle_gamma   58.443
_symmetry_Int_Tables_number   1
_cell_volume   104.600
_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
  Zr  Zr0  1  0.127  0.127  0.127  1.0
  Zr  Zr1  1  0.873  0.873  0.873  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Zr2Mo3Co is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 12-coordinate geometry to nine equivalent Mo(1) and three equivalent Co(1) atoms. Mo(1) is bonded to six equivalent Zr(1), four equivalent Mo(1), and two equivalent Co(1) atoms to form MoZr6Co2Mo4 cuboctahedra that share corners with four equivalent Co(1)Zr6Mo6 cuboctahedra, corners with fourteen equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, edges with six equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, faces with six equivalent Co(1)Zr6Mo6 cuboctahedra, and faces with twelve equivalent Mo(1)Zr6Co2Mo4 cuboctahedra. Co(1) is bonded to six equivalent Zr(1) and six equivalent Mo(1) atoms to form CoZr6Mo6 cuboctahedra that share corners with six equivalent Co(1)Zr6Mo6 cuboctahedra, corners with twelve equivalent Mo(1)Zr6Co2Mo4 cuboctahedra, edges with six equivalent Co(1)Zr6Mo6 cuboctahedra, and faces with eighteen equivalent Mo(1)Zr6Co2Mo4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2CoMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.353
_cell_length_c   5.353
_cell_angle_alpha   58.443
_cell_angle_beta   58.443
_cell_angle_gamma   58.443
_symmetry_Int_Tables_number   1
_cell_volume   104.600
_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
  Zr  Zr0  1  0.127  0.127  0.127  1.0
  Zr  Zr1  1  0.873  0.873  0.873  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.500  0.000  1.0
[/CIF]
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