The material described by Ca2WSnO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(1), one W(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1), one W(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ca2SnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.661
_cell_length_c   10.041
_cell_angle_alpha   55.676
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.930
_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
  Ca  Ca0  1  0.059  0.270  0.746  1.0
  Ca  Ca1  1  0.559  0.730  0.754  1.0
  Ca  Ca2  1  0.941  0.730  0.254  1.0
  Ca  Ca3  1  0.441  0.270  0.246  1.0
  Sn  Sn4  1  0.000  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.276  0.771  0.579  1.0
  O  O9  1  0.776  0.229  0.921  1.0
  O  O10  1  0.724  0.229  0.421  1.0
  O  O11  1  0.224  0.771  0.079  1.0
  O  O12  1  0.166  0.343  0.441  1.0
  O  O13  1  0.666  0.657  0.059  1.0
  O  O14  1  0.834  0.657  0.559  1.0
  O  O15  1  0.334  0.343  0.941  1.0
  O  O16  1  0.435  0.087  0.784  1.0
  O  O17  1  0.935  0.913  0.716  1.0
  O  O18  1  0.065  0.087  0.284  1.0
  O  O19  1  0.565  0.913  0.216  1.0
[/CIF]
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The material described by Ca2WSnO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(1), one W(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1), one W(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ca2SnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.661
_cell_length_c   10.041
_cell_angle_alpha   55.676
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.930
_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
  Ca  Ca0  1  0.059  0.270  0.746  1.0
  Ca  Ca1  1  0.559  0.730  0.754  1.0
  Ca  Ca2  1  0.941  0.730  0.254  1.0
  Ca  Ca3  1  0.441  0.270  0.246  1.0
  Sn  Sn4  1  0.000  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.276  0.771  0.579  1.0
  O  O9  1  0.776  0.229  0.921  1.0
  O  O10  1  0.724  0.229  0.421  1.0
  O  O11  1  0.224  0.771  0.079  1.0
  O  O12  1  0.166  0.343  0.441  1.0
  O  O13  1  0.666  0.657  0.059  1.0
  O  O14  1  0.834  0.657  0.559  1.0
  O  O15  1  0.334  0.343  0.941  1.0
  O  O16  1  0.435  0.087  0.784  1.0
  O  O17  1  0.935  0.913  0.716  1.0
  O  O18  1  0.065  0.087  0.284  1.0
  O  O19  1  0.565  0.913  0.216  1.0
[/CIF]
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