The structure described by Sr2CaWO6 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, faces with two equivalent Ca(2)O6 octahedra, faces with two equivalent W(1)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom to form distorted face-sharing OSr4CaW octahedra. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ca(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one Ca(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Sr2CaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   5.966
_cell_length_c   8.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.205
_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
  Sr  Sr0  1  0.000  0.516  0.255  1.0
  Sr  Sr1  1  0.500  0.991  0.248  1.0
  Sr  Sr2  1  0.000  0.516  0.745  1.0
  Sr  Sr3  1  0.500  0.991  0.752  1.0
  Ca  Ca4  1  0.500  0.473  0.000  1.0
  Ca  Ca5  1  0.000  0.997  0.500  1.0
  W  W6  1  0.000  0.968  0.000  1.0
  W  W7  1  0.500  0.491  0.500  1.0
  O  O8  1  0.269  0.726  0.500  1.0
  O  O9  1  0.264  0.264  0.500  1.0
  O  O10  1  0.000  0.958  0.233  1.0
  O  O11  1  0.000  0.958  0.767  1.0
  O  O12  1  0.500  0.484  0.732  1.0
  O  O13  1  0.223  0.724  0.000  1.0
  O  O14  1  0.731  0.726  0.500  1.0
  O  O15  1  0.777  0.724  0.000  1.0
  O  O16  1  0.755  0.183  0.000  1.0
  O  O17  1  0.736  0.264  0.500  1.0
  O  O18  1  0.500  0.484  0.268  1.0
  O  O19  1  0.245  0.183  0.000  1.0
[/CIF]
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The structure described by Sr2CaWO6 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, faces with two equivalent Ca(2)O6 octahedra, faces with two equivalent W(1)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom to form distorted face-sharing OSr4CaW octahedra. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ca(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one Ca(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Sr2CaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   5.966
_cell_length_c   8.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.205
_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
  Sr  Sr0  1  0.000  0.516  0.255  1.0
  Sr  Sr1  1  0.500  0.991  0.248  1.0
  Sr  Sr2  1  0.000  0.516  0.745  1.0
  Sr  Sr3  1  0.500  0.991  0.752  1.0
  Ca  Ca4  1  0.500  0.473  0.000  1.0
  Ca  Ca5  1  0.000  0.997  0.500  1.0
  W  W6  1  0.000  0.968  0.000  1.0
  W  W7  1  0.500  0.491  0.500  1.0
  O  O8  1  0.269  0.726  0.500  1.0
  O  O9  1  0.264  0.264  0.500  1.0
  O  O10  1  0.000  0.958  0.233  1.0
  O  O11  1  0.000  0.958  0.767  1.0
  O  O12  1  0.500  0.484  0.732  1.0
  O  O13  1  0.223  0.724  0.000  1.0
  O  O14  1  0.731  0.726  0.500  1.0
  O  O15  1  0.777  0.724  0.000  1.0
  O  O16  1  0.755  0.183  0.000  1.0
  O  O17  1  0.736  0.264  0.500  1.0
  O  O18  1  0.500  0.484  0.268  1.0
  O  O19  1  0.245  0.183  0.000  1.0
[/CIF]
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