The structure described by ZrSnCl6 crystallizes in the monoclinic Pc space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Cl(10), one Cl(11), one Cl(14), one Cl(17), one Cl(18), and one Cl(4) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the second Zr site, Zr(2) is bonded to one Cl(14), one Cl(16), one Cl(18), one Cl(2), one Cl(6), and one Cl(8) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. In the third Zr site, Zr(3) is bonded to one Cl(12), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(9) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Cl(1), one Cl(16), one Cl(7), and one Cl(9) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(12), one Cl(15), one Cl(2), one Cl(5), and one Cl(8) atom. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Cl(1), one Cl(15), one Cl(17), and one Cl(7) atom. There are eighteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Zr(2) and one Sn(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(3) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one Zr(3) and one Sn(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Zr(2) and one Zr(3) atom. In the seventh Cl site, Cl(7) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Zr(2) and one Sn(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted bent 150 degrees geometry to one Zr(3) and one Sn(1) atom. In the tenth Cl site, Cl(10) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one Sn(2) atom. In the eleventh Cl site, Cl(11) is bonded in a single-bond geometry to one Zr(1) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Zr(3) and one Sn(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a single-bond geometry to one Zr(3) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a distorted single-bond geometry to one Zr(2) and one Sn(1) atom. In the seventeenth Cl site, Cl(17) is bonded in a distorted single-bond geometry to one Zr(1) and one Sn(3) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   11.977
_cell_length_c   18.833
_cell_angle_alpha   88.050
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1507.150
_cell_formula_units_Z   6
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  0.481  0.507  0.002  1.0
  Zr  Zr1  1  0.519  0.507  0.502  1.0
  Zr  Zr2  1  0.993  0.669  0.163  1.0
  Zr  Zr3  1  0.007  0.669  0.663  1.0
  Zr  Zr4  1  0.990  0.995  0.500  1.0
  Zr  Zr5  1  0.010  0.995  1.000  1.0
  Sn  Sn6  1  0.989  0.322  0.330  1.0
  Sn  Sn7  1  0.011  0.322  0.830  1.0
  Sn  Sn8  1  0.492  0.843  0.840  1.0
  Sn  Sn9  1  0.508  0.843  0.340  1.0
  Sn  Sn10  1  0.490  0.166  0.175  1.0
  Sn  Sn11  1  0.510  0.166  0.675  1.0
  Cl  Cl12  1  0.155  0.168  0.253  1.0
  Cl  Cl13  1  0.845  0.168  0.753  1.0
  Cl  Cl14  1  0.692  0.681  0.235  1.0
  Cl  Cl15  1  0.308  0.681  0.735  1.0
  Cl  Cl16  1  0.307  0.984  0.072  1.0
  Cl  Cl17  1  0.693  0.984  0.572  1.0
  Cl  Cl18  1  0.346  0.363  0.441  1.0
  Cl  Cl19  1  0.654  0.363  0.941  1.0
  Cl  Cl20  1  0.854  0.847  0.417  1.0
  Cl  Cl21  1  0.146  0.847  0.917  1.0
  Cl  Cl22  1  0.141  0.828  0.575  1.0
  Cl  Cl23  1  0.859  0.828  0.075  1.0
  Cl  Cl24  1  0.343  0.321  0.757  1.0
  Cl  Cl25  1  0.657  0.321  0.257  1.0
  Cl  Cl26  1  0.840  0.813  0.728  1.0
  Cl  Cl27  1  0.160  0.813  0.228  1.0
  Cl  Cl28  1  0.844  0.144  0.422  1.0
  Cl  Cl29  1  0.156  0.144  0.922  1.0
  Cl  Cl30  1  0.354  0.662  0.436  1.0
  Cl  Cl31  1  0.646  0.662  0.936  1.0
  Cl  Cl32  1  0.805  0.511  0.425  1.0
  Cl  Cl33  1  0.195  0.511  0.925  1.0
  Cl  Cl34  1  0.308  0.991  0.425  1.0
  Cl  Cl35  1  0.692  0.991  0.925  1.0
  Cl  Cl36  1  0.851  0.130  0.074  1.0
  Cl  Cl37  1  0.149  0.130  0.574  1.0
  Cl  Cl38  1  0.296  0.660  0.079  1.0
  Cl  Cl39  1  0.704  0.660  0.579  1.0
  Cl  Cl40  1  0.656  0.007  0.257  1.0
  Cl  Cl41  1  0.344  0.007  0.757  1.0
  Cl  Cl42  1  0.865  0.516  0.735  1.0
  Cl  Cl43  1  0.135  0.516  0.235  1.0
  Cl  Cl44  1  0.345  0.373  0.090  1.0
  Cl  Cl45  1  0.655  0.373  0.590  1.0
  Cl  Cl46  1  0.802  0.530  0.088  1.0
  Cl  Cl47  1  0.198  0.530  0.588  1.0
[/CIF]
.
The structure described by ZrSnCl6 crystallizes in the monoclinic Pc space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Cl(10), one Cl(11), one Cl(14), one Cl(17), one Cl(18), and one Cl(4) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the second Zr site, Zr(2) is bonded to one Cl(14), one Cl(16), one Cl(18), one Cl(2), one Cl(6), and one Cl(8) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. In the third Zr site, Zr(3) is bonded to one Cl(12), one Cl(13), one Cl(3), one Cl(5), one Cl(6), and one Cl(9) atom to form corner-sharing ZrCl6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Cl(1), one Cl(16), one Cl(7), and one Cl(9) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(12), one Cl(15), one Cl(2), one Cl(5), and one Cl(8) atom. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Cl(1), one Cl(15), one Cl(17), and one Cl(7) atom. There are eighteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Zr(2) and one Sn(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(3) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one Zr(3) and one Sn(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Zr(2) and one Zr(3) atom. In the seventh Cl site, Cl(7) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Zr(2) and one Sn(2) atom. In the ninth Cl site, Cl(9) is bonded in a distorted bent 150 degrees geometry to one Zr(3) and one Sn(1) atom. In the tenth Cl site, Cl(10) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one Sn(2) atom. In the eleventh Cl site, Cl(11) is bonded in a single-bond geometry to one Zr(1) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Zr(3) and one Sn(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a single-bond geometry to one Zr(3) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a distorted single-bond geometry to one Zr(2) and one Sn(1) atom. In the seventeenth Cl site, Cl(17) is bonded in a distorted single-bond geometry to one Zr(1) and one Sn(3) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSnCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   11.977
_cell_length_c   18.833
_cell_angle_alpha   88.050
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1507.150
_cell_formula_units_Z   6
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  0.481  0.507  0.002  1.0
  Zr  Zr1  1  0.519  0.507  0.502  1.0
  Zr  Zr2  1  0.993  0.669  0.163  1.0
  Zr  Zr3  1  0.007  0.669  0.663  1.0
  Zr  Zr4  1  0.990  0.995  0.500  1.0
  Zr  Zr5  1  0.010  0.995  1.000  1.0
  Sn  Sn6  1  0.989  0.322  0.330  1.0
  Sn  Sn7  1  0.011  0.322  0.830  1.0
  Sn  Sn8  1  0.492  0.843  0.840  1.0
  Sn  Sn9  1  0.508  0.843  0.340  1.0
  Sn  Sn10  1  0.490  0.166  0.175  1.0
  Sn  Sn11  1  0.510  0.166  0.675  1.0
  Cl  Cl12  1  0.155  0.168  0.253  1.0
  Cl  Cl13  1  0.845  0.168  0.753  1.0
  Cl  Cl14  1  0.692  0.681  0.235  1.0
  Cl  Cl15  1  0.308  0.681  0.735  1.0
  Cl  Cl16  1  0.307  0.984  0.072  1.0
  Cl  Cl17  1  0.693  0.984  0.572  1.0
  Cl  Cl18  1  0.346  0.363  0.441  1.0
  Cl  Cl19  1  0.654  0.363  0.941  1.0
  Cl  Cl20  1  0.854  0.847  0.417  1.0
  Cl  Cl21  1  0.146  0.847  0.917  1.0
  Cl  Cl22  1  0.141  0.828  0.575  1.0
  Cl  Cl23  1  0.859  0.828  0.075  1.0
  Cl  Cl24  1  0.343  0.321  0.757  1.0
  Cl  Cl25  1  0.657  0.321  0.257  1.0
  Cl  Cl26  1  0.840  0.813  0.728  1.0
  Cl  Cl27  1  0.160  0.813  0.228  1.0
  Cl  Cl28  1  0.844  0.144  0.422  1.0
  Cl  Cl29  1  0.156  0.144  0.922  1.0
  Cl  Cl30  1  0.354  0.662  0.436  1.0
  Cl  Cl31  1  0.646  0.662  0.936  1.0
  Cl  Cl32  1  0.805  0.511  0.425  1.0
  Cl  Cl33  1  0.195  0.511  0.925  1.0
  Cl  Cl34  1  0.308  0.991  0.425  1.0
  Cl  Cl35  1  0.692  0.991  0.925  1.0
  Cl  Cl36  1  0.851  0.130  0.074  1.0
  Cl  Cl37  1  0.149  0.130  0.574  1.0
  Cl  Cl38  1  0.296  0.660  0.079  1.0
  Cl  Cl39  1  0.704  0.660  0.579  1.0
  Cl  Cl40  1  0.656  0.007  0.257  1.0
  Cl  Cl41  1  0.344  0.007  0.757  1.0
  Cl  Cl42  1  0.865  0.516  0.735  1.0
  Cl  Cl43  1  0.135  0.516  0.235  1.0
  Cl  Cl44  1  0.345  0.373  0.090  1.0
  Cl  Cl45  1  0.655  0.373  0.590  1.0
  Cl  Cl46  1  0.802  0.530  0.088  1.0
  Cl  Cl47  1  0.198  0.530  0.588  1.0
[/CIF]
.