The compound described by ErCo5 crystallizes in the hexagonal P6/mmm space group. Er(1) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to four equivalent Er(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing CoEr4Co8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   4.894
_cell_length_c   3.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.930
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by ErCo5 crystallizes in the hexagonal P6/mmm space group. Er(1) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to four equivalent Er(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing CoEr4Co8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   4.894
_cell_length_c   3.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.930
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
[/CIF]
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