The compound described by KBaGdWO6 is (Cubic) 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 to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second K site, K(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-9°. 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 Gd(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KBaGdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.503
_cell_length_b   8.510
_cell_length_c   8.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.236
_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
  Ba  Ba4  1  0.500  0.500  0.000  1.0
  Ba  Ba5  1  0.000  0.000  0.500  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.500  0.500  0.500  1.0
  Gd  Gd8  1  0.750  0.750  0.750  1.0
  Gd  Gd9  1  0.250  0.250  0.750  1.0
  Gd  Gd10  1  0.250  0.750  0.250  1.0
  Gd  Gd11  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  0.019  0.234  0.260  1.0
  O  O17  1  0.981  0.766  0.260  1.0
  O  O18  1  0.981  0.234  0.740  1.0
  O  O19  1  0.019  0.766  0.740  1.0
  O  O20  1  0.254  0.020  0.239  1.0
  O  O21  1  0.254  0.980  0.761  1.0
  O  O22  1  0.746  0.980  0.239  1.0
  O  O23  1  0.746  0.020  0.761  1.0
  O  O24  1  0.240  0.260  0.020  1.0
  O  O25  1  0.760  0.260  0.980  1.0
  O  O26  1  0.240  0.740  0.980  1.0
  O  O27  1  0.760  0.740  0.020  1.0
  O  O28  1  0.481  0.266  0.240  1.0
  O  O29  1  0.519  0.734  0.240  1.0
  O  O30  1  0.519  0.266  0.760  1.0
  O  O31  1  0.481  0.734  0.760  1.0
  O  O32  1  0.246  0.480  0.261  1.0
  O  O33  1  0.246  0.520  0.739  1.0
  O  O34  1  0.754  0.520  0.261  1.0
  O  O35  1  0.754  0.480  0.739  1.0
  O  O36  1  0.260  0.240  0.480  1.0
  O  O37  1  0.740  0.240  0.520  1.0
  O  O38  1  0.260  0.760  0.520  1.0
  O  O39  1  0.740  0.760  0.480  1.0
[/CIF]
.
The compound described by KBaGdWO6 is (Cubic) 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 to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second K site, K(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-9°. 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 Gd(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Gd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KBaGdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.503
_cell_length_b   8.510
_cell_length_c   8.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.236
_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
  Ba  Ba4  1  0.500  0.500  0.000  1.0
  Ba  Ba5  1  0.000  0.000  0.500  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.500  0.500  0.500  1.0
  Gd  Gd8  1  0.750  0.750  0.750  1.0
  Gd  Gd9  1  0.250  0.250  0.750  1.0
  Gd  Gd10  1  0.250  0.750  0.250  1.0
  Gd  Gd11  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  0.019  0.234  0.260  1.0
  O  O17  1  0.981  0.766  0.260  1.0
  O  O18  1  0.981  0.234  0.740  1.0
  O  O19  1  0.019  0.766  0.740  1.0
  O  O20  1  0.254  0.020  0.239  1.0
  O  O21  1  0.254  0.980  0.761  1.0
  O  O22  1  0.746  0.980  0.239  1.0
  O  O23  1  0.746  0.020  0.761  1.0
  O  O24  1  0.240  0.260  0.020  1.0
  O  O25  1  0.760  0.260  0.980  1.0
  O  O26  1  0.240  0.740  0.980  1.0
  O  O27  1  0.760  0.740  0.020  1.0
  O  O28  1  0.481  0.266  0.240  1.0
  O  O29  1  0.519  0.734  0.240  1.0
  O  O30  1  0.519  0.266  0.760  1.0
  O  O31  1  0.481  0.734  0.760  1.0
  O  O32  1  0.246  0.480  0.261  1.0
  O  O33  1  0.246  0.520  0.739  1.0
  O  O34  1  0.754  0.520  0.261  1.0
  O  O35  1  0.754  0.480  0.739  1.0
  O  O36  1  0.260  0.240  0.480  1.0
  O  O37  1  0.740  0.240  0.520  1.0
  O  O38  1  0.260  0.760  0.520  1.0
  O  O39  1  0.740  0.760  0.480  1.0
[/CIF]
.