The crystal structure described by Ba3SrTa2O9 is Krennerite-derived structured and crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Sr(1) is bonded to six equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Ba3SrTa2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.095
_cell_length_c   15.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   495.205
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.118  1.0
  Ba  Ba3  1  0.667  0.333  0.618  1.0
  Ba  Ba4  1  0.667  0.333  0.882  1.0
  Ba  Ba5  1  0.333  0.667  0.382  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Ta  Ta8  1  0.333  0.667  0.846  1.0
  Ta  Ta9  1  0.667  0.333  0.346  1.0
  Ta  Ta10  1  0.667  0.333  0.154  1.0
  Ta  Ta11  1  0.333  0.667  0.654  1.0
  O  O12  1  0.569  0.045  0.250  1.0
  O  O13  1  0.524  0.569  0.750  1.0
  O  O14  1  0.045  0.476  0.750  1.0
  O  O15  1  0.955  0.524  0.250  1.0
  O  O16  1  0.476  0.431  0.250  1.0
  O  O17  1  0.431  0.955  0.750  1.0
  O  O18  1  0.761  0.644  0.098  1.0
  O  O19  1  0.117  0.761  0.598  1.0
  O  O20  1  0.644  0.883  0.598  1.0
  O  O21  1  0.356  0.117  0.098  1.0
  O  O22  1  0.883  0.239  0.098  1.0
  O  O23  1  0.239  0.356  0.598  1.0
  O  O24  1  0.239  0.356  0.902  1.0
  O  O25  1  0.883  0.239  0.402  1.0
  O  O26  1  0.356  0.117  0.402  1.0
  O  O27  1  0.644  0.883  0.902  1.0
  O  O28  1  0.117  0.761  0.902  1.0
  O  O29  1  0.761  0.644  0.402  1.0
[/CIF]
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The crystal structure described by Ba3SrTa2O9 is Krennerite-derived structured and crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Sr(1) is bonded to six equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Ba3SrTa2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.095
_cell_length_c   15.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   495.205
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.118  1.0
  Ba  Ba3  1  0.667  0.333  0.618  1.0
  Ba  Ba4  1  0.667  0.333  0.882  1.0
  Ba  Ba5  1  0.333  0.667  0.382  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Ta  Ta8  1  0.333  0.667  0.846  1.0
  Ta  Ta9  1  0.667  0.333  0.346  1.0
  Ta  Ta10  1  0.667  0.333  0.154  1.0
  Ta  Ta11  1  0.333  0.667  0.654  1.0
  O  O12  1  0.569  0.045  0.250  1.0
  O  O13  1  0.524  0.569  0.750  1.0
  O  O14  1  0.045  0.476  0.750  1.0
  O  O15  1  0.955  0.524  0.250  1.0
  O  O16  1  0.476  0.431  0.250  1.0
  O  O17  1  0.431  0.955  0.750  1.0
  O  O18  1  0.761  0.644  0.098  1.0
  O  O19  1  0.117  0.761  0.598  1.0
  O  O20  1  0.644  0.883  0.598  1.0
  O  O21  1  0.356  0.117  0.098  1.0
  O  O22  1  0.883  0.239  0.098  1.0
  O  O23  1  0.239  0.356  0.598  1.0
  O  O24  1  0.239  0.356  0.902  1.0
  O  O25  1  0.883  0.239  0.402  1.0
  O  O26  1  0.356  0.117  0.402  1.0
  O  O27  1  0.644  0.883  0.902  1.0
  O  O28  1  0.117  0.761  0.902  1.0
  O  O29  1  0.761  0.644  0.402  1.0
[/CIF]
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