The compound described by Co7Hf2 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(3), four equivalent Co(1), and eight equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(3) is bonded to four equivalent Hf(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of corner, face, and edge-sharing CoHf4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Hf(1), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms to form a mixture of corner, face, and edge-sharing CoHf4Co8 cuboctahedra. In the third Co site, Co(2) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one Co(3), two equivalent Co(1), and five equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   4.733
_cell_length_c   6.263
_cell_angle_alpha   82.168
_cell_angle_beta   73.961
_cell_angle_gamma   60.448
_symmetry_Int_Tables_number   1
_cell_volume   115.716
_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
  Hf  Hf0  1  0.100  0.000  0.232  1.0
  Hf  Hf1  1  0.900  0.000  0.768  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.545  0.664  0.845  1.0
  Co  Co5  1  0.209  0.336  0.845  1.0
  Co  Co6  1  0.455  0.336  0.155  1.0
  Co  Co7  1  0.791  0.664  0.155  1.0
  Co  Co8  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Co7Hf2 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(3), four equivalent Co(1), and eight equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(3) is bonded to four equivalent Hf(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of corner, face, and edge-sharing CoHf4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Hf(1), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms to form a mixture of corner, face, and edge-sharing CoHf4Co8 cuboctahedra. In the third Co site, Co(2) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one Co(3), two equivalent Co(1), and five equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   4.733
_cell_length_c   6.263
_cell_angle_alpha   82.168
_cell_angle_beta   73.961
_cell_angle_gamma   60.448
_symmetry_Int_Tables_number   1
_cell_volume   115.716
_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
  Hf  Hf0  1  0.100  0.000  0.232  1.0
  Hf  Hf1  1  0.900  0.000  0.768  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.545  0.664  0.845  1.0
  Co  Co5  1  0.209  0.336  0.845  1.0
  Co  Co6  1  0.455  0.336  0.155  1.0
  Co  Co7  1  0.791  0.664  0.155  1.0
  Co  Co8  1  0.500  0.000  0.500  1.0
[/CIF]
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