The crystal structure described by Ca2WSnO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one O(3), one O(4), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(5) atoms. W(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. Sn(1) is bonded in a bent 150 degrees geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one W(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one W(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Ca(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one W(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Ca(1) and one Ca(2) atom. is represented by the CIF card [CIF]
data_Ca2SnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.667
_cell_length_c   5.705
_cell_angle_alpha   119.476
_cell_angle_beta   90.154
_cell_angle_gamma   119.507
_symmetry_Int_Tables_number   1
_cell_volume   130.917
_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
  Ca  Ca0  1  0.776  0.245  0.298  1.0
  Ca  Ca1  1  0.278  0.741  0.804  1.0
  Sn  Sn2  1  0.506  0.516  0.489  1.0
  W  W3  1  0.005  0.017  0.986  1.0
  O  O4  1  0.651  0.785  0.708  1.0
  O  O5  1  0.358  0.298  0.212  1.0
  O  O6  1  0.156  0.676  0.209  1.0
  O  O7  1  0.746  0.866  0.218  1.0
  O  O8  1  0.229  0.172  0.710  1.0
  O  O9  1  0.852  0.363  0.722  1.0
[/CIF]
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The crystal structure described by Ca2WSnO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one O(3), one O(4), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(5) atoms. W(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. Sn(1) is bonded in a bent 150 degrees geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one W(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one W(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Ca(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one W(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Ca(1) and one Ca(2) atom. is represented by the CIF card [CIF]
data_Ca2SnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.667
_cell_length_c   5.705
_cell_angle_alpha   119.476
_cell_angle_beta   90.154
_cell_angle_gamma   119.507
_symmetry_Int_Tables_number   1
_cell_volume   130.917
_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
  Ca  Ca0  1  0.776  0.245  0.298  1.0
  Ca  Ca1  1  0.278  0.741  0.804  1.0
  Sn  Sn2  1  0.506  0.516  0.489  1.0
  W  W3  1  0.005  0.017  0.986  1.0
  O  O4  1  0.651  0.785  0.708  1.0
  O  O5  1  0.358  0.298  0.212  1.0
  O  O6  1  0.156  0.676  0.209  1.0
  O  O7  1  0.746  0.866  0.218  1.0
  O  O8  1  0.229  0.172  0.710  1.0
  O  O9  1  0.852  0.363  0.722  1.0
[/CIF]
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