The material described by ZnSnSi2O6 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnSi2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.349
_cell_length_c   5.530
_cell_angle_alpha   75.018
_cell_angle_beta   75.018
_cell_angle_gamma   85.525
_symmetry_Int_Tables_number   1
_cell_volume   278.677
_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
  Zn  Zn0  1  0.746  0.254  0.250  1.0
  Zn  Zn1  1  0.254  0.746  0.750  1.0
  Si  Si2  1  0.797  0.618  0.787  1.0
  Si  Si3  1  0.382  0.203  0.713  1.0
  Si  Si4  1  0.618  0.797  0.287  1.0
  Si  Si5  1  0.203  0.382  0.213  1.0
  Sn  Sn6  1  0.868  0.132  0.750  1.0
  Sn  Sn7  1  0.132  0.868  0.250  1.0
  O  O8  1  0.690  0.683  0.547  1.0
  O  O9  1  0.317  0.310  0.953  1.0
  O  O10  1  0.310  0.317  0.453  1.0
  O  O11  1  0.683  0.690  0.047  1.0
  O  O12  1  0.791  0.387  0.888  1.0
  O  O13  1  0.613  0.209  0.612  1.0
  O  O14  1  0.209  0.613  0.112  1.0
  O  O15  1  0.387  0.791  0.388  1.0
  O  O16  1  0.695  0.011  0.176  1.0
  O  O17  1  0.989  0.305  0.324  1.0
  O  O18  1  0.011  0.695  0.676  1.0
  O  O19  1  0.305  0.989  0.824  1.0
[/CIF]
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The material described by ZnSnSi2O6 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Sn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnSi2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.349
_cell_length_c   5.530
_cell_angle_alpha   75.018
_cell_angle_beta   75.018
_cell_angle_gamma   85.525
_symmetry_Int_Tables_number   1
_cell_volume   278.677
_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
  Zn  Zn0  1  0.746  0.254  0.250  1.0
  Zn  Zn1  1  0.254  0.746  0.750  1.0
  Si  Si2  1  0.797  0.618  0.787  1.0
  Si  Si3  1  0.382  0.203  0.713  1.0
  Si  Si4  1  0.618  0.797  0.287  1.0
  Si  Si5  1  0.203  0.382  0.213  1.0
  Sn  Sn6  1  0.868  0.132  0.750  1.0
  Sn  Sn7  1  0.132  0.868  0.250  1.0
  O  O8  1  0.690  0.683  0.547  1.0
  O  O9  1  0.317  0.310  0.953  1.0
  O  O10  1  0.310  0.317  0.453  1.0
  O  O11  1  0.683  0.690  0.047  1.0
  O  O12  1  0.791  0.387  0.888  1.0
  O  O13  1  0.613  0.209  0.612  1.0
  O  O14  1  0.209  0.613  0.112  1.0
  O  O15  1  0.387  0.791  0.388  1.0
  O  O16  1  0.695  0.011  0.176  1.0
  O  O17  1  0.989  0.305  0.324  1.0
  O  O18  1  0.011  0.695  0.676  1.0
  O  O19  1  0.305  0.989  0.824  1.0
[/CIF]
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