The structure described by BaSrTbTiO6 crystallizes in the triclinic P-1 space group. Ba(1) 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 distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. Sr(1) 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 distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra, corners with four equivalent Tb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Tb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_BaSrTbTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   5.950
_cell_length_c   8.430
_cell_angle_alpha   90.047
_cell_angle_beta   90.075
_cell_angle_gamma   90.120
_symmetry_Int_Tables_number   1
_cell_volume   299.054
_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
  Ba  Ba0  1  0.501  0.504  0.250  1.0
  Ba  Ba1  1  0.499  0.496  0.750  1.0
  Sr  Sr2  1  0.000  0.004  0.250  1.0
  Sr  Sr3  1  1.000  0.996  0.750  1.0
  Tb  Tb4  1  0.000  0.500  0.000  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.000  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.248  0.216  0.985  1.0
  O  O9  1  0.244  0.723  0.514  1.0
  O  O10  1  0.752  0.784  0.015  1.0
  O  O11  1  0.756  0.277  0.486  1.0
  O  O12  1  0.277  0.756  0.985  1.0
  O  O13  1  0.216  0.248  0.515  1.0
  O  O14  1  0.723  0.244  0.015  1.0
  O  O15  1  0.784  0.752  0.485  1.0
  O  O16  1  0.468  0.999  0.234  1.0
  O  O17  1  0.026  0.497  0.266  1.0
  O  O18  1  0.532  0.001  0.766  1.0
  O  O19  1  0.974  0.503  0.734  1.0
[/CIF]
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The structure described by BaSrTbTiO6 crystallizes in the triclinic P-1 space group. Ba(1) 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 distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. Sr(1) 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 distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra, corners with four equivalent Tb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Tb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_BaSrTbTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   5.950
_cell_length_c   8.430
_cell_angle_alpha   90.047
_cell_angle_beta   90.075
_cell_angle_gamma   90.120
_symmetry_Int_Tables_number   1
_cell_volume   299.054
_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
  Ba  Ba0  1  0.501  0.504  0.250  1.0
  Ba  Ba1  1  0.499  0.496  0.750  1.0
  Sr  Sr2  1  0.000  0.004  0.250  1.0
  Sr  Sr3  1  1.000  0.996  0.750  1.0
  Tb  Tb4  1  0.000  0.500  0.000  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.000  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.248  0.216  0.985  1.0
  O  O9  1  0.244  0.723  0.514  1.0
  O  O10  1  0.752  0.784  0.015  1.0
  O  O11  1  0.756  0.277  0.486  1.0
  O  O12  1  0.277  0.756  0.985  1.0
  O  O13  1  0.216  0.248  0.515  1.0
  O  O14  1  0.723  0.244  0.015  1.0
  O  O15  1  0.784  0.752  0.485  1.0
  O  O16  1  0.468  0.999  0.234  1.0
  O  O17  1  0.026  0.497  0.266  1.0
  O  O18  1  0.532  0.001  0.766  1.0
  O  O19  1  0.974  0.503  0.734  1.0
[/CIF]
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