The material described by Ba3Tb2WO9 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), two equivalent O(3), two equivalent O(4), and three equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), two equivalent O(3), two equivalent O(4), and three equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(7), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form TbO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form TbO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-20°. In the third Tb site, Tb(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form WO6 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 11-18°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(1), and one Tb(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one W(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Tb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Tb(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(1), and one Tb(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), three equivalent Ba(1), one Tb(1), and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one Tb(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(2), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Tb2WO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   10.592
_cell_length_c   8.667
_cell_angle_alpha   65.766
_cell_angle_beta   89.725
_cell_angle_gamma   106.514
_symmetry_Int_Tables_number   1
_cell_volume   486.261
_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  0.495  0.492  0.250  1.0
  Ba  Ba1  1  0.175  0.840  0.572  1.0
  Ba  Ba2  1  0.822  0.167  0.922  1.0
  Ba  Ba3  1  0.172  0.841  0.084  1.0
  Ba  Ba4  1  0.845  0.167  0.411  1.0
  Ba  Ba5  1  0.492  0.494  0.762  1.0
  Tb  Tb6  1  0.000  0.505  0.998  1.0
  Tb  Tb7  1  0.666  0.829  0.336  1.0
  Tb  Tb8  1  0.333  0.167  0.667  1.0
  Tb  Tb9  1  0.333  0.167  0.167  1.0
  W  W10  1  0.996  0.498  0.502  1.0
  W  W11  1  0.670  0.836  0.831  1.0
  O  O12  1  0.544  0.012  0.280  1.0
  O  O13  1  0.173  0.359  0.599  1.0
  O  O14  1  0.860  0.707  0.919  1.0
  O  O15  1  0.123  0.321  0.053  1.0
  O  O16  1  0.807  0.626  0.414  1.0
  O  O17  1  0.494  0.974  0.734  1.0
  O  O18  1  0.284  0.663  0.415  1.0
  O  O19  1  0.957  0.003  0.748  1.0
  O  O20  1  0.646  0.370  0.064  1.0
  O  O21  1  0.648  0.846  0.054  1.0
  O  O22  1  0.298  0.193  0.407  1.0
  O  O23  1  0.986  0.523  0.716  1.0
  O  O24  1  0.382  0.671  0.919  1.0
  O  O25  1  0.021  0.963  0.269  1.0
  O  O26  1  0.709  0.331  0.585  1.0
  O  O27  1  0.019  0.487  0.279  1.0
  O  O28  1  0.681  0.811  0.618  1.0
  O  O29  1  0.369  0.140  0.926  1.0
[/CIF]
.
The material described by Ba3Tb2WO9 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), two equivalent O(3), two equivalent O(4), and three equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), two equivalent O(3), two equivalent O(4), and three equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(7), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form TbO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form TbO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-20°. In the third Tb site, Tb(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form WO6 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 11-18°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(1), and one Tb(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one W(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Tb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Tb(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(1), and one Tb(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), three equivalent Ba(1), one Tb(1), and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Tb(2), and one Tb(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(2), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Tb2WO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   10.592
_cell_length_c   8.667
_cell_angle_alpha   65.766
_cell_angle_beta   89.725
_cell_angle_gamma   106.514
_symmetry_Int_Tables_number   1
_cell_volume   486.261
_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  0.495  0.492  0.250  1.0
  Ba  Ba1  1  0.175  0.840  0.572  1.0
  Ba  Ba2  1  0.822  0.167  0.922  1.0
  Ba  Ba3  1  0.172  0.841  0.084  1.0
  Ba  Ba4  1  0.845  0.167  0.411  1.0
  Ba  Ba5  1  0.492  0.494  0.762  1.0
  Tb  Tb6  1  0.000  0.505  0.998  1.0
  Tb  Tb7  1  0.666  0.829  0.336  1.0
  Tb  Tb8  1  0.333  0.167  0.667  1.0
  Tb  Tb9  1  0.333  0.167  0.167  1.0
  W  W10  1  0.996  0.498  0.502  1.0
  W  W11  1  0.670  0.836  0.831  1.0
  O  O12  1  0.544  0.012  0.280  1.0
  O  O13  1  0.173  0.359  0.599  1.0
  O  O14  1  0.860  0.707  0.919  1.0
  O  O15  1  0.123  0.321  0.053  1.0
  O  O16  1  0.807  0.626  0.414  1.0
  O  O17  1  0.494  0.974  0.734  1.0
  O  O18  1  0.284  0.663  0.415  1.0
  O  O19  1  0.957  0.003  0.748  1.0
  O  O20  1  0.646  0.370  0.064  1.0
  O  O21  1  0.648  0.846  0.054  1.0
  O  O22  1  0.298  0.193  0.407  1.0
  O  O23  1  0.986  0.523  0.716  1.0
  O  O24  1  0.382  0.671  0.919  1.0
  O  O25  1  0.021  0.963  0.269  1.0
  O  O26  1  0.709  0.331  0.585  1.0
  O  O27  1  0.019  0.487  0.279  1.0
  O  O28  1  0.681  0.811  0.618  1.0
  O  O29  1  0.369  0.140  0.926  1.0
[/CIF]
.