The material described by La3(BWO9) crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) 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 to three equivalent La(1) and one W(1) atom to form a mixture of corner and edge-sharing OLa3W tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one W(1) atom. is represented by the CIF file [CIF]
data_La3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.845
_cell_length_b   8.845
_cell_length_c   5.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   380.276
_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
  La  La0  1  0.915  0.276  0.220  1.0
  La  La1  1  0.724  0.639  0.220  1.0
  La  La2  1  0.276  0.361  0.720  1.0
  La  La3  1  0.085  0.724  0.720  1.0
  La  La4  1  0.361  0.085  0.220  1.0
  La  La5  1  0.639  0.915  0.720  1.0
  B  B6  1  0.000  0.000  0.876  1.0
  B  B7  1  0.000  0.000  0.376  1.0
  W  W8  1  0.667  0.333  0.756  1.0
  W  W9  1  0.333  0.667  0.256  1.0
  O  O10  1  0.378  0.858  0.477  1.0
  O  O11  1  0.479  0.622  0.477  1.0
  O  O12  1  0.128  0.173  0.370  1.0
  O  O13  1  0.524  0.720  0.050  1.0
  O  O14  1  0.173  0.045  0.870  1.0
  O  O15  1  0.872  0.827  0.870  1.0
  O  O16  1  0.280  0.804  0.050  1.0
  O  O17  1  0.196  0.476  0.050  1.0
  O  O18  1  0.858  0.479  0.977  1.0
  O  O19  1  0.955  0.128  0.870  1.0
  O  O20  1  0.720  0.196  0.550  1.0
  O  O21  1  0.045  0.872  0.370  1.0
  O  O22  1  0.622  0.142  0.977  1.0
  O  O23  1  0.827  0.955  0.370  1.0
  O  O24  1  0.804  0.524  0.550  1.0
  O  O25  1  0.476  0.280  0.550  1.0
  O  O26  1  0.521  0.378  0.977  1.0
  O  O27  1  0.142  0.521  0.477  1.0
[/CIF]
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The material described by La3(BWO9) crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) 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 to three equivalent La(1) and one W(1) atom to form a mixture of corner and edge-sharing OLa3W tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one W(1) atom. is represented by the CIF file [CIF]
data_La3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.845
_cell_length_b   8.845
_cell_length_c   5.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   380.276
_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
  La  La0  1  0.915  0.276  0.220  1.0
  La  La1  1  0.724  0.639  0.220  1.0
  La  La2  1  0.276  0.361  0.720  1.0
  La  La3  1  0.085  0.724  0.720  1.0
  La  La4  1  0.361  0.085  0.220  1.0
  La  La5  1  0.639  0.915  0.720  1.0
  B  B6  1  0.000  0.000  0.876  1.0
  B  B7  1  0.000  0.000  0.376  1.0
  W  W8  1  0.667  0.333  0.756  1.0
  W  W9  1  0.333  0.667  0.256  1.0
  O  O10  1  0.378  0.858  0.477  1.0
  O  O11  1  0.479  0.622  0.477  1.0
  O  O12  1  0.128  0.173  0.370  1.0
  O  O13  1  0.524  0.720  0.050  1.0
  O  O14  1  0.173  0.045  0.870  1.0
  O  O15  1  0.872  0.827  0.870  1.0
  O  O16  1  0.280  0.804  0.050  1.0
  O  O17  1  0.196  0.476  0.050  1.0
  O  O18  1  0.858  0.479  0.977  1.0
  O  O19  1  0.955  0.128  0.870  1.0
  O  O20  1  0.720  0.196  0.550  1.0
  O  O21  1  0.045  0.872  0.370  1.0
  O  O22  1  0.622  0.142  0.977  1.0
  O  O23  1  0.827  0.955  0.370  1.0
  O  O24  1  0.804  0.524  0.550  1.0
  O  O25  1  0.476  0.280  0.550  1.0
  O  O26  1  0.521  0.378  0.977  1.0
  O  O27  1  0.142  0.521  0.477  1.0
[/CIF]
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