The compound described by SrCaTbBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(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(5) atoms to form TbO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 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 31-37°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 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 33-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Tb(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Tb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Tb(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Tb(1), and one Bi(2) atom to form distorted corner-sharing OSrCaTbBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Tb(2), and one Bi(1) atom to form distorted corner-sharing OSrCaTbBi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaTbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   6.039
_cell_length_c   8.417
_cell_angle_alpha   89.977
_cell_angle_beta   89.832
_cell_angle_gamma   89.866
_symmetry_Int_Tables_number   1
_cell_volume   298.417
_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
  Sr  Sr0  1  0.511  0.551  0.250  1.0
  Sr  Sr1  1  0.489  0.449  0.750  1.0
  Ca  Ca2  1  0.986  0.049  0.248  1.0
  Ca  Ca3  1  0.014  0.951  0.752  1.0
  Tb  Tb4  1  0.500  0.000  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.185  0.204  0.937  1.0
  O  O9  1  0.310  0.708  0.554  1.0
  O  O10  1  0.815  0.796  0.063  1.0
  O  O11  1  0.690  0.292  0.446  1.0
  O  O12  1  0.295  0.696  0.949  1.0
  O  O13  1  0.204  0.192  0.564  1.0
  O  O14  1  0.705  0.304  0.051  1.0
  O  O15  1  0.796  0.808  0.436  1.0
  O  O16  1  0.380  0.966  0.259  1.0
  O  O17  1  0.098  0.441  0.242  1.0
  O  O18  1  0.620  0.034  0.741  1.0
  O  O19  1  0.902  0.559  0.758  1.0
[/CIF]
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The compound described by SrCaTbBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(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(5) atoms to form TbO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 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 31-37°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 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 33-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Tb(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Tb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Tb(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Tb(1), and one Bi(2) atom to form distorted corner-sharing OSrCaTbBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Tb(2), and one Bi(1) atom to form distorted corner-sharing OSrCaTbBi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaTbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   6.039
_cell_length_c   8.417
_cell_angle_alpha   89.977
_cell_angle_beta   89.832
_cell_angle_gamma   89.866
_symmetry_Int_Tables_number   1
_cell_volume   298.417
_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
  Sr  Sr0  1  0.511  0.551  0.250  1.0
  Sr  Sr1  1  0.489  0.449  0.750  1.0
  Ca  Ca2  1  0.986  0.049  0.248  1.0
  Ca  Ca3  1  0.014  0.951  0.752  1.0
  Tb  Tb4  1  0.500  0.000  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.185  0.204  0.937  1.0
  O  O9  1  0.310  0.708  0.554  1.0
  O  O10  1  0.815  0.796  0.063  1.0
  O  O11  1  0.690  0.292  0.446  1.0
  O  O12  1  0.295  0.696  0.949  1.0
  O  O13  1  0.204  0.192  0.564  1.0
  O  O14  1  0.705  0.304  0.051  1.0
  O  O15  1  0.796  0.808  0.436  1.0
  O  O16  1  0.380  0.966  0.259  1.0
  O  O17  1  0.098  0.441  0.242  1.0
  O  O18  1  0.620  0.034  0.741  1.0
  O  O19  1  0.902  0.559  0.758  1.0
[/CIF]
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