The crystal structure described by Hf10CuSn7 crystallizes in the trigonal P-31m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Cu(1), one Sn(2), and five equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Hf(3) atoms to form distorted CuHf6 octahedra that share faces with two equivalent Sn(2)Hf6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and five equivalent Hf(3) atoms. In the second Sn site, Sn(2) is bonded to six equivalent Hf(3) atoms to form distorted SnHf6 octahedra that share faces with two equivalent Cu(1)Hf6 octahedra. is represented by the CIF file [CIF]
data_Hf10CuSn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   8.620
_cell_length_c   8.620
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.441
_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  0.500  0.333  0.667  1.0
  Hf  Hf1  1  0.500  0.667  0.333  1.0
  Hf  Hf2  1  1.000  0.667  0.333  1.0
  Hf  Hf3  1  1.000  0.333  0.667  1.0
  Hf  Hf4  1  0.736  0.272  0.000  1.0
  Hf  Hf5  1  0.736  0.728  0.728  1.0
  Hf  Hf6  1  0.736  1.000  0.272  1.0
  Hf  Hf7  1  0.264  0.729  0.000  1.0
  Hf  Hf8  1  0.264  0.271  0.272  1.0
  Hf  Hf9  1  0.264  1.000  0.728  1.0
  Cu  Cu10  1  0.500  1.000  1.000  1.0
  Sn  Sn11  1  0.755  0.613  0.000  1.0
  Sn  Sn12  1  0.755  0.387  0.387  1.0
  Sn  Sn13  1  0.755  1.000  0.613  1.0
  Sn  Sn14  1  0.245  0.387  0.000  1.0
  Sn  Sn15  1  0.245  0.613  0.613  1.0
  Sn  Sn16  1  0.245  1.000  0.387  1.0
  Sn  Sn17  1  1.000  0.000  1.000  1.0
[/CIF]
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The crystal structure described by Hf10CuSn7 crystallizes in the trigonal P-31m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Cu(1), one Sn(2), and five equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Hf(3) atoms to form distorted CuHf6 octahedra that share faces with two equivalent Sn(2)Hf6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and five equivalent Hf(3) atoms. In the second Sn site, Sn(2) is bonded to six equivalent Hf(3) atoms to form distorted SnHf6 octahedra that share faces with two equivalent Cu(1)Hf6 octahedra. is represented by the CIF file [CIF]
data_Hf10CuSn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   8.620
_cell_length_c   8.620
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.441
_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  0.500  0.333  0.667  1.0
  Hf  Hf1  1  0.500  0.667  0.333  1.0
  Hf  Hf2  1  1.000  0.667  0.333  1.0
  Hf  Hf3  1  1.000  0.333  0.667  1.0
  Hf  Hf4  1  0.736  0.272  0.000  1.0
  Hf  Hf5  1  0.736  0.728  0.728  1.0
  Hf  Hf6  1  0.736  1.000  0.272  1.0
  Hf  Hf7  1  0.264  0.729  0.000  1.0
  Hf  Hf8  1  0.264  0.271  0.272  1.0
  Hf  Hf9  1  0.264  1.000  0.728  1.0
  Cu  Cu10  1  0.500  1.000  1.000  1.0
  Sn  Sn11  1  0.755  0.613  0.000  1.0
  Sn  Sn12  1  0.755  0.387  0.387  1.0
  Sn  Sn13  1  0.755  1.000  0.613  1.0
  Sn  Sn14  1  0.245  0.387  0.000  1.0
  Sn  Sn15  1  0.245  0.613  0.613  1.0
  Sn  Sn16  1  0.245  1.000  0.387  1.0
  Sn  Sn17  1  1.000  0.000  1.000  1.0
[/CIF]
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