The compound described by BaSrTbWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. 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 faces with four equivalent Tb(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) 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(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 16-20°. 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 Tb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), one Tb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_BaSrTbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.426
_cell_length_b   8.449
_cell_length_c   8.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   604.664
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  Sr  Sr6  1  0.500  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.500  0.000  1.0
  Tb  Tb8  1  0.750  0.750  0.750  1.0
  Tb  Tb9  1  0.250  0.250  0.750  1.0
  Tb  Tb10  1  0.250  0.750  0.250  1.0
  Tb  Tb11  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  0.015  0.227  0.277  1.0
  O  O17  1  0.985  0.773  0.277  1.0
  O  O18  1  0.985  0.227  0.723  1.0
  O  O19  1  0.015  0.773  0.723  1.0
  O  O20  1  0.282  0.016  0.219  1.0
  O  O21  1  0.282  0.984  0.781  1.0
  O  O22  1  0.718  0.984  0.219  1.0
  O  O23  1  0.718  0.016  0.781  1.0
  O  O24  1  0.219  0.281  0.013  1.0
  O  O25  1  0.781  0.281  0.987  1.0
  O  O26  1  0.219  0.719  0.987  1.0
  O  O27  1  0.781  0.719  0.013  1.0
  O  O28  1  0.485  0.273  0.223  1.0
  O  O29  1  0.515  0.727  0.223  1.0
  O  O30  1  0.515  0.273  0.777  1.0
  O  O31  1  0.485  0.727  0.777  1.0
  O  O32  1  0.218  0.484  0.281  1.0
  O  O33  1  0.218  0.516  0.719  1.0
  O  O34  1  0.782  0.516  0.281  1.0
  O  O35  1  0.782  0.484  0.719  1.0
  O  O36  1  0.281  0.219  0.487  1.0
  O  O37  1  0.719  0.219  0.513  1.0
  O  O38  1  0.281  0.781  0.513  1.0
  O  O39  1  0.719  0.781  0.487  1.0
[/CIF]
.
The compound described by BaSrTbWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. 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 faces with four equivalent Tb(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) 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(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 16-20°. 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 Tb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), one Tb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_BaSrTbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.426
_cell_length_b   8.449
_cell_length_c   8.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   604.664
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  Sr  Sr6  1  0.500  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.500  0.000  1.0
  Tb  Tb8  1  0.750  0.750  0.750  1.0
  Tb  Tb9  1  0.250  0.250  0.750  1.0
  Tb  Tb10  1  0.250  0.750  0.250  1.0
  Tb  Tb11  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  0.015  0.227  0.277  1.0
  O  O17  1  0.985  0.773  0.277  1.0
  O  O18  1  0.985  0.227  0.723  1.0
  O  O19  1  0.015  0.773  0.723  1.0
  O  O20  1  0.282  0.016  0.219  1.0
  O  O21  1  0.282  0.984  0.781  1.0
  O  O22  1  0.718  0.984  0.219  1.0
  O  O23  1  0.718  0.016  0.781  1.0
  O  O24  1  0.219  0.281  0.013  1.0
  O  O25  1  0.781  0.281  0.987  1.0
  O  O26  1  0.219  0.719  0.987  1.0
  O  O27  1  0.781  0.719  0.013  1.0
  O  O28  1  0.485  0.273  0.223  1.0
  O  O29  1  0.515  0.727  0.223  1.0
  O  O30  1  0.515  0.273  0.777  1.0
  O  O31  1  0.485  0.727  0.777  1.0
  O  O32  1  0.218  0.484  0.281  1.0
  O  O33  1  0.218  0.516  0.719  1.0
  O  O34  1  0.782  0.516  0.281  1.0
  O  O35  1  0.782  0.484  0.719  1.0
  O  O36  1  0.281  0.219  0.487  1.0
  O  O37  1  0.719  0.219  0.513  1.0
  O  O38  1  0.281  0.781  0.513  1.0
  O  O39  1  0.719  0.781  0.487  1.0
[/CIF]
.