The material described by KSrLaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share faces with four equivalent La(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LaO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-24°. 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 La(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one Sr(1), one Sr(2), one La(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Sr(2), one La(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Sr(1), one Sr(2), one La(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KSrLaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.567
_cell_length_b   8.544
_cell_length_c   8.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.672
_cell_formula_units_Z   4
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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.000  1.0
  Sr  Sr5  1  0.000  0.000  0.500  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.500  0.500  0.500  1.0
  La  La8  1  0.750  0.750  0.750  1.0
  La  La9  1  0.250  0.250  0.750  1.0
  La  La10  1  0.250  0.750  0.250  1.0
  La  La11  1  0.750  0.250  0.250  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.750  0.750  0.250  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.025  0.207  0.278  1.0
  O  O17  1  0.975  0.793  0.278  1.0
  O  O18  1  0.975  0.207  0.722  1.0
  O  O19  1  0.025  0.793  0.722  1.0
  O  O20  1  0.271  0.026  0.217  1.0
  O  O21  1  0.271  0.974  0.783  1.0
  O  O22  1  0.729  0.974  0.217  1.0
  O  O23  1  0.729  0.026  0.783  1.0
  O  O24  1  0.218  0.276  0.026  1.0
  O  O25  1  0.782  0.276  0.974  1.0
  O  O26  1  0.218  0.724  0.974  1.0
  O  O27  1  0.782  0.724  0.026  1.0
  O  O28  1  0.475  0.293  0.222  1.0
  O  O29  1  0.525  0.707  0.222  1.0
  O  O30  1  0.525  0.293  0.778  1.0
  O  O31  1  0.475  0.707  0.778  1.0
  O  O32  1  0.229  0.474  0.283  1.0
  O  O33  1  0.229  0.526  0.717  1.0
  O  O34  1  0.771  0.526  0.283  1.0
  O  O35  1  0.771  0.474  0.717  1.0
  O  O36  1  0.282  0.224  0.474  1.0
  O  O37  1  0.718  0.224  0.526  1.0
  O  O38  1  0.282  0.776  0.526  1.0
  O  O39  1  0.718  0.776  0.474  1.0
[/CIF]
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The material described by KSrLaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share faces with four equivalent La(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LaO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-24°. 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 La(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one Sr(1), one Sr(2), one La(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Sr(2), one La(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Sr(1), one Sr(2), one La(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KSrLaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.567
_cell_length_b   8.544
_cell_length_c   8.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.672
_cell_formula_units_Z   4
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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.000  1.0
  Sr  Sr5  1  0.000  0.000  0.500  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.500  0.500  0.500  1.0
  La  La8  1  0.750  0.750  0.750  1.0
  La  La9  1  0.250  0.250  0.750  1.0
  La  La10  1  0.250  0.750  0.250  1.0
  La  La11  1  0.750  0.250  0.250  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.750  0.750  0.250  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.025  0.207  0.278  1.0
  O  O17  1  0.975  0.793  0.278  1.0
  O  O18  1  0.975  0.207  0.722  1.0
  O  O19  1  0.025  0.793  0.722  1.0
  O  O20  1  0.271  0.026  0.217  1.0
  O  O21  1  0.271  0.974  0.783  1.0
  O  O22  1  0.729  0.974  0.217  1.0
  O  O23  1  0.729  0.026  0.783  1.0
  O  O24  1  0.218  0.276  0.026  1.0
  O  O25  1  0.782  0.276  0.974  1.0
  O  O26  1  0.218  0.724  0.974  1.0
  O  O27  1  0.782  0.724  0.026  1.0
  O  O28  1  0.475  0.293  0.222  1.0
  O  O29  1  0.525  0.707  0.222  1.0
  O  O30  1  0.525  0.293  0.778  1.0
  O  O31  1  0.475  0.707  0.778  1.0
  O  O32  1  0.229  0.474  0.283  1.0
  O  O33  1  0.229  0.526  0.717  1.0
  O  O34  1  0.771  0.526  0.283  1.0
  O  O35  1  0.771  0.474  0.717  1.0
  O  O36  1  0.282  0.224  0.474  1.0
  O  O37  1  0.718  0.224  0.526  1.0
  O  O38  1  0.282  0.776  0.526  1.0
  O  O39  1  0.718  0.776  0.474  1.0
[/CIF]
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