The compound described by Sr2CaWO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr2CaW tetrahedra that share corners with four equivalent O(2)Sr4CaW octahedra, corners with ten equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and  an edgeedge with one O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr4CaW octahedra that share corners with six equivalent O(2)Sr4CaW octahedra, corners with eight equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and edges with eight equivalent O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Sr2CaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   5.905
_cell_length_c   5.834
_cell_angle_alpha   60.393
_cell_angle_beta   90.000
_cell_angle_gamma   119.607
_symmetry_Int_Tables_number   1
_cell_volume   143.802
_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
  Sr  Sr0  1  0.250  0.500  0.250  1.0
  Sr  Sr1  1  0.750  0.500  0.750  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.294  0.000  0.162  1.0
  O  O5  1  0.706  0.000  0.838  1.0
  O  O6  1  0.838  0.000  0.294  1.0
  O  O7  1  0.162  0.000  0.706  1.0
  O  O8  1  0.769  0.537  0.231  1.0
  O  O9  1  0.231  0.463  0.769  1.0
[/CIF]
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The compound described by Sr2CaWO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr2CaW tetrahedra that share corners with four equivalent O(2)Sr4CaW octahedra, corners with ten equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and  an edgeedge with one O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr4CaW octahedra that share corners with six equivalent O(2)Sr4CaW octahedra, corners with eight equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and edges with eight equivalent O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Sr2CaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   5.905
_cell_length_c   5.834
_cell_angle_alpha   60.393
_cell_angle_beta   90.000
_cell_angle_gamma   119.607
_symmetry_Int_Tables_number   1
_cell_volume   143.802
_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
  Sr  Sr0  1  0.250  0.500  0.250  1.0
  Sr  Sr1  1  0.750  0.500  0.750  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.294  0.000  0.162  1.0
  O  O5  1  0.706  0.000  0.838  1.0
  O  O6  1  0.838  0.000  0.294  1.0
  O  O7  1  0.162  0.000  0.706  1.0
  O  O8  1  0.769  0.537  0.231  1.0
  O  O9  1  0.231  0.463  0.769  1.0
[/CIF]
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