The structure described by Zr10Sn7 crystallizes in the trigonal P-31m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1) and six equivalent Sn(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sn(2) and five equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and five equivalent Zr(3) atoms. In the second Sn site, Sn(2) is bonded in an octahedral geometry to six equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr10Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.921
_cell_length_b   8.720
_cell_length_c   8.721
_cell_angle_alpha   119.996
_cell_angle_beta   90.006
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   389.948
_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
  Zr  Zr0  1  0.500  0.333  0.667  1.0
  Zr  Zr1  1  0.500  0.667  0.333  1.0
  Zr  Zr2  1  0.000  0.667  0.333  1.0
  Zr  Zr3  1  0.000  0.333  0.667  1.0
  Zr  Zr4  1  0.765  0.272  0.000  1.0
  Zr  Zr5  1  0.765  0.728  0.728  1.0
  Zr  Zr6  1  0.765  0.000  0.272  1.0
  Zr  Zr7  1  0.235  0.728  0.000  1.0
  Zr  Zr8  1  0.235  0.272  0.272  1.0
  Zr  Zr9  1  0.235  1.000  0.728  1.0
  Sn  Sn10  1  0.745  0.615  0.000  1.0
  Sn  Sn11  1  0.745  0.385  0.385  1.0
  Sn  Sn12  1  0.745  1.000  0.615  1.0
  Sn  Sn13  1  0.255  0.385  0.000  1.0
  Sn  Sn14  1  0.255  0.615  0.615  1.0
  Sn  Sn15  1  0.255  0.000  0.385  1.0
  Sn  Sn16  1  0.500  1.000  0.000  1.0
[/CIF]
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The structure described by Zr10Sn7 crystallizes in the trigonal P-31m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1) and six equivalent Sn(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to one Sn(2) and five equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and five equivalent Zr(3) atoms. In the second Sn site, Sn(2) is bonded in an octahedral geometry to six equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr10Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.921
_cell_length_b   8.720
_cell_length_c   8.721
_cell_angle_alpha   119.996
_cell_angle_beta   90.006
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   389.948
_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
  Zr  Zr0  1  0.500  0.333  0.667  1.0
  Zr  Zr1  1  0.500  0.667  0.333  1.0
  Zr  Zr2  1  0.000  0.667  0.333  1.0
  Zr  Zr3  1  0.000  0.333  0.667  1.0
  Zr  Zr4  1  0.765  0.272  0.000  1.0
  Zr  Zr5  1  0.765  0.728  0.728  1.0
  Zr  Zr6  1  0.765  0.000  0.272  1.0
  Zr  Zr7  1  0.235  0.728  0.000  1.0
  Zr  Zr8  1  0.235  0.272  0.272  1.0
  Zr  Zr9  1  0.235  1.000  0.728  1.0
  Sn  Sn10  1  0.745  0.615  0.000  1.0
  Sn  Sn11  1  0.745  0.385  0.385  1.0
  Sn  Sn12  1  0.745  1.000  0.615  1.0
  Sn  Sn13  1  0.255  0.385  0.000  1.0
  Sn  Sn14  1  0.255  0.615  0.615  1.0
  Sn  Sn15  1  0.255  0.000  0.385  1.0
  Sn  Sn16  1  0.500  1.000  0.000  1.0
[/CIF]
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