The crystal structure described by BaSrTbZrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. 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 Zr(2)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. 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 Zr(1)O6 octahedra and corners with four equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Zr site, Zr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(1), and one Zr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Zr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(2), and one Zr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Zr(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Tb(1), and one Zr(2) atom. is represented by the CIF card [CIF]
data_BaSrTbZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.109
_cell_length_c   8.586
_cell_angle_alpha   90.178
_cell_angle_beta   90.154
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   317.937
_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  0.506  0.528  0.250  1.0
  Ba  Ba1  1  0.494  0.472  0.750  1.0
  Sr  Sr2  1  0.993  0.033  0.251  1.0
  Sr  Sr3  1  0.007  0.967  0.749  1.0
  Tb  Tb4  1  0.000  0.500  0.000  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.000  1.0
  Zr  Zr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.222  0.204  0.954  1.0
  O  O9  1  0.275  0.709  0.534  1.0
  O  O10  1  0.778  0.796  0.046  1.0
  O  O11  1  0.725  0.291  0.466  1.0
  O  O12  1  0.292  0.726  0.963  1.0
  O  O13  1  0.201  0.221  0.546  1.0
  O  O14  1  0.708  0.274  0.037  1.0
  O  O15  1  0.799  0.779  0.454  1.0
  O  O16  1  0.413  0.991  0.240  1.0
  O  O17  1  0.068  0.463  0.259  1.0
  O  O18  1  0.587  0.009  0.760  1.0
  O  O19  1  0.932  0.537  0.741  1.0
[/CIF]
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The crystal structure described by BaSrTbZrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. 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 Zr(2)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. 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 Zr(1)O6 octahedra and corners with four equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Zr site, Zr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(1), and one Zr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Zr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(2), and one Zr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Zr(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Tb(1), and one Zr(2) atom. is represented by the CIF card [CIF]
data_BaSrTbZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.109
_cell_length_c   8.586
_cell_angle_alpha   90.178
_cell_angle_beta   90.154
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   317.937
_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  0.506  0.528  0.250  1.0
  Ba  Ba1  1  0.494  0.472  0.750  1.0
  Sr  Sr2  1  0.993  0.033  0.251  1.0
  Sr  Sr3  1  0.007  0.967  0.749  1.0
  Tb  Tb4  1  0.000  0.500  0.000  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.000  1.0
  Zr  Zr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.222  0.204  0.954  1.0
  O  O9  1  0.275  0.709  0.534  1.0
  O  O10  1  0.778  0.796  0.046  1.0
  O  O11  1  0.725  0.291  0.466  1.0
  O  O12  1  0.292  0.726  0.963  1.0
  O  O13  1  0.201  0.221  0.546  1.0
  O  O14  1  0.708  0.274  0.037  1.0
  O  O15  1  0.799  0.779  0.454  1.0
  O  O16  1  0.413  0.991  0.240  1.0
  O  O17  1  0.068  0.463  0.259  1.0
  O  O18  1  0.587  0.009  0.760  1.0
  O  O19  1  0.932  0.537  0.741  1.0
[/CIF]
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