The crystal structure described by Tb3WBO9 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded in a distorted octahedral geometry to three equivalent O(1) and three equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Tb(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Tb(1) and one B(1) atom. In the third O site, O(3) is bonded to three equivalent Tb(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OTb3W tetrahedra. is represented by the CIF file [CIF]
data_Tb3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.598
_cell_length_c   5.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   347.262
_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
  Tb  Tb0  1  0.079  0.723  0.701  1.0
  Tb  Tb1  1  0.644  0.921  0.701  1.0
  Tb  Tb2  1  0.921  0.277  0.201  1.0
  Tb  Tb3  1  0.277  0.356  0.701  1.0
  Tb  Tb4  1  0.723  0.644  0.201  1.0
  Tb  Tb5  1  0.356  0.079  0.201  1.0
  B  B6  1  0.000  0.000  0.872  1.0
  B  B7  1  0.000  0.000  0.372  1.0
  W  W8  1  0.667  0.333  0.744  1.0
  W  W9  1  0.333  0.667  0.244  1.0
  O  O10  1  0.260  0.798  0.035  1.0
  O  O11  1  0.740  0.202  0.535  1.0
  O  O12  1  0.124  0.181  0.363  1.0
  O  O13  1  0.517  0.387  0.974  1.0
  O  O14  1  0.056  0.876  0.363  1.0
  O  O15  1  0.869  0.483  0.974  1.0
  O  O16  1  0.819  0.944  0.363  1.0
  O  O17  1  0.131  0.517  0.474  1.0
  O  O18  1  0.798  0.538  0.535  1.0
  O  O19  1  0.181  0.056  0.863  1.0
  O  O20  1  0.944  0.124  0.863  1.0
  O  O21  1  0.876  0.819  0.863  1.0
  O  O22  1  0.483  0.613  0.474  1.0
  O  O23  1  0.202  0.462  0.035  1.0
  O  O24  1  0.462  0.260  0.535  1.0
  O  O25  1  0.613  0.131  0.974  1.0
  O  O26  1  0.538  0.740  0.035  1.0
  O  O27  1  0.387  0.869  0.474  1.0
[/CIF]
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The crystal structure described by Tb3WBO9 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded in a distorted octahedral geometry to three equivalent O(1) and three equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Tb(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Tb(1) and one B(1) atom. In the third O site, O(3) is bonded to three equivalent Tb(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OTb3W tetrahedra. is represented by the CIF file [CIF]
data_Tb3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.598
_cell_length_c   5.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   347.262
_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
  Tb  Tb0  1  0.079  0.723  0.701  1.0
  Tb  Tb1  1  0.644  0.921  0.701  1.0
  Tb  Tb2  1  0.921  0.277  0.201  1.0
  Tb  Tb3  1  0.277  0.356  0.701  1.0
  Tb  Tb4  1  0.723  0.644  0.201  1.0
  Tb  Tb5  1  0.356  0.079  0.201  1.0
  B  B6  1  0.000  0.000  0.872  1.0
  B  B7  1  0.000  0.000  0.372  1.0
  W  W8  1  0.667  0.333  0.744  1.0
  W  W9  1  0.333  0.667  0.244  1.0
  O  O10  1  0.260  0.798  0.035  1.0
  O  O11  1  0.740  0.202  0.535  1.0
  O  O12  1  0.124  0.181  0.363  1.0
  O  O13  1  0.517  0.387  0.974  1.0
  O  O14  1  0.056  0.876  0.363  1.0
  O  O15  1  0.869  0.483  0.974  1.0
  O  O16  1  0.819  0.944  0.363  1.0
  O  O17  1  0.131  0.517  0.474  1.0
  O  O18  1  0.798  0.538  0.535  1.0
  O  O19  1  0.181  0.056  0.863  1.0
  O  O20  1  0.944  0.124  0.863  1.0
  O  O21  1  0.876  0.819  0.863  1.0
  O  O22  1  0.483  0.613  0.474  1.0
  O  O23  1  0.202  0.462  0.035  1.0
  O  O24  1  0.462  0.260  0.535  1.0
  O  O25  1  0.613  0.131  0.974  1.0
  O  O26  1  0.538  0.740  0.035  1.0
  O  O27  1  0.387  0.869  0.474  1.0
[/CIF]
.