The crystal structure described by ZrCoSn crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Co(1), four equivalent Co(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Sn(1) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_ZrCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.114
_cell_length_c   3.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.152
_cell_formula_units_Z   3
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  0.395  0.395  0.500  1.0
  Zr  Zr1  1  0.000  0.605  0.500  1.0
  Zr  Zr2  1  0.605  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.333  0.667  0.000  1.0
  Co  Co5  1  0.667  0.333  0.000  1.0
  Sn  Sn6  1  0.000  0.265  0.000  1.0
  Sn  Sn7  1  0.265  0.000  0.000  1.0
  Sn  Sn8  1  0.735  0.735  0.000  1.0
[/CIF]
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The crystal structure described by ZrCoSn crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Co(1), four equivalent Co(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Sn(1) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_ZrCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.114
_cell_length_c   3.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.152
_cell_formula_units_Z   3
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  0.395  0.395  0.500  1.0
  Zr  Zr1  1  0.000  0.605  0.500  1.0
  Zr  Zr2  1  0.605  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.333  0.667  0.000  1.0
  Co  Co5  1  0.667  0.333  0.000  1.0
  Sn  Sn6  1  0.000  0.265  0.000  1.0
  Sn  Sn7  1  0.265  0.000  0.000  1.0
  Sn  Sn8  1  0.735  0.735  0.000  1.0
[/CIF]
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