The structure described by Zr3(Sn2Sb)2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to one Sn(1), one Sn(3), four equivalent Sn(2), and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), three equivalent Sn(1), three equivalent Sn(3), and two equivalent Sb(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(1), and four equivalent Sb(1) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Sn(1), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(3), and four equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3(Sn2Sb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.562
_cell_length_b   5.562
_cell_length_c   7.651
_cell_angle_alpha   89.855
_cell_angle_beta   89.855
_cell_angle_gamma   119.990
_symmetry_Int_Tables_number   1
_cell_volume   204.970
_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  0.504  0.009  0.163  1.0
  Zr  Zr1  1  0.991  0.496  0.837  1.0
  Zr  Zr2  1  0.505  0.495  0.500  1.0
  Sn  Sn3  1  0.836  0.164  0.500  1.0
  Sn  Sn4  1  0.168  0.340  0.170  1.0
  Sn  Sn5  1  0.660  0.832  0.830  1.0
  Sn  Sn6  1  0.174  0.826  0.500  1.0
  Sb  Sb7  1  0.835  0.673  0.167  1.0
  Sb  Sb8  1  0.327  0.165  0.833  1.0
[/CIF]
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The structure described by Zr3(Sn2Sb)2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to one Sn(1), one Sn(3), four equivalent Sn(2), and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), three equivalent Sn(1), three equivalent Sn(3), and two equivalent Sb(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Sn(2), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(1), and four equivalent Sb(1) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Sn(1), and two equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to one Zr(2), four equivalent Zr(1), one Sn(3), and four equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3(Sn2Sb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.562
_cell_length_b   5.562
_cell_length_c   7.651
_cell_angle_alpha   89.855
_cell_angle_beta   89.855
_cell_angle_gamma   119.990
_symmetry_Int_Tables_number   1
_cell_volume   204.970
_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  0.504  0.009  0.163  1.0
  Zr  Zr1  1  0.991  0.496  0.837  1.0
  Zr  Zr2  1  0.505  0.495  0.500  1.0
  Sn  Sn3  1  0.836  0.164  0.500  1.0
  Sn  Sn4  1  0.168  0.340  0.170  1.0
  Sn  Sn5  1  0.660  0.832  0.830  1.0
  Sn  Sn6  1  0.174  0.826  0.500  1.0
  Sb  Sb7  1  0.835  0.673  0.167  1.0
  Sb  Sb8  1  0.327  0.165  0.833  1.0
[/CIF]
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