The material structure described by Ho3CuSiSe7 crystallizes in the hexagonal P6_3 space group. Ho(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(3), three equivalent Se(1), and four equivalent Se(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Ho(1) and three equivalent Se(2) atoms. Si(1) is bonded in a tetrahedral geometry to one Se(3) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ho(1) and one Si(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent Ho(1) and one Cu(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Ho(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho3CuSiSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.306
_cell_length_b   10.306
_cell_length_c   6.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   554.979
_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
  Ho  Ho0  1  0.778  0.134  0.230  1.0
  Ho  Ho1  1  0.644  0.778  0.730  1.0
  Ho  Ho2  1  0.134  0.356  0.730  1.0
  Ho  Ho3  1  0.866  0.644  0.230  1.0
  Ho  Ho4  1  0.356  0.222  0.230  1.0
  Ho  Ho5  1  0.222  0.866  0.730  1.0
  Cu  Cu6  1  0.000  0.000  0.178  1.0
  Cu  Cu7  1  0.000  0.000  0.678  1.0
  Si  Si8  1  0.667  0.333  0.820  1.0
  Si  Si9  1  0.333  0.667  0.320  1.0
  Se  Se10  1  0.422  0.521  0.475  1.0
  Se  Se11  1  0.479  0.901  0.475  1.0
  Se  Se12  1  0.099  0.578  0.475  1.0
  Se  Se13  1  0.899  0.738  0.695  1.0
  Se  Se14  1  0.667  0.333  0.442  1.0
  Se  Se15  1  0.901  0.422  0.975  1.0
  Se  Se16  1  0.839  0.101  0.695  1.0
  Se  Se17  1  0.578  0.479  0.975  1.0
  Se  Se18  1  0.101  0.262  0.195  1.0
  Se  Se19  1  0.521  0.099  0.975  1.0
  Se  Se20  1  0.262  0.161  0.695  1.0
  Se  Se21  1  0.333  0.667  0.942  1.0
  Se  Se22  1  0.161  0.899  0.195  1.0
  Se  Se23  1  0.738  0.839  0.195  1.0
[/CIF]
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The material structure described by Ho3CuSiSe7 crystallizes in the hexagonal P6_3 space group. Ho(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(3), three equivalent Se(1), and four equivalent Se(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Ho(1) and three equivalent Se(2) atoms. Si(1) is bonded in a tetrahedral geometry to one Se(3) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ho(1) and one Si(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent Ho(1) and one Cu(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Ho(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho3CuSiSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.306
_cell_length_b   10.306
_cell_length_c   6.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   554.979
_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
  Ho  Ho0  1  0.778  0.134  0.230  1.0
  Ho  Ho1  1  0.644  0.778  0.730  1.0
  Ho  Ho2  1  0.134  0.356  0.730  1.0
  Ho  Ho3  1  0.866  0.644  0.230  1.0
  Ho  Ho4  1  0.356  0.222  0.230  1.0
  Ho  Ho5  1  0.222  0.866  0.730  1.0
  Cu  Cu6  1  0.000  0.000  0.178  1.0
  Cu  Cu7  1  0.000  0.000  0.678  1.0
  Si  Si8  1  0.667  0.333  0.820  1.0
  Si  Si9  1  0.333  0.667  0.320  1.0
  Se  Se10  1  0.422  0.521  0.475  1.0
  Se  Se11  1  0.479  0.901  0.475  1.0
  Se  Se12  1  0.099  0.578  0.475  1.0
  Se  Se13  1  0.899  0.738  0.695  1.0
  Se  Se14  1  0.667  0.333  0.442  1.0
  Se  Se15  1  0.901  0.422  0.975  1.0
  Se  Se16  1  0.839  0.101  0.695  1.0
  Se  Se17  1  0.578  0.479  0.975  1.0
  Se  Se18  1  0.101  0.262  0.195  1.0
  Se  Se19  1  0.521  0.099  0.975  1.0
  Se  Se20  1  0.262  0.161  0.695  1.0
  Se  Se21  1  0.333  0.667  0.942  1.0
  Se  Se22  1  0.161  0.899  0.195  1.0
  Se  Se23  1  0.738  0.839  0.195  1.0
[/CIF]
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