The material structure described by AgAlO3 crystallizes in the hexagonal P6_3cm space group. Ag(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form AgO5 trigonal bipyramids that share corners with two equivalent Al(2)O4 tetrahedra and corners with six equivalent Ag(1)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with six equivalent Ag(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ag(1) and one Al(1) atom to form corner-sharing OAlAg3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Ag(1) and one Al(2) atom to form corner-sharing OAlAg3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ag(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ag(1), one Al(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_AlAgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.049
_cell_length_b   6.049
_cell_length_c   10.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   343.775
_cell_formula_units_Z   6
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
  Al  Al0  1  0.667  0.333  0.243  1.0
  Al  Al1  1  0.333  0.667  0.743  1.0
  Al  Al2  1  0.667  0.333  0.743  1.0
  Al  Al3  1  0.333  0.667  0.243  1.0
  Al  Al4  1  0.000  0.000  0.744  1.0
  Al  Al5  1  0.000  0.000  0.244  1.0
  Ag  Ag6  1  0.674  0.000  0.497  1.0
  Ag  Ag7  1  0.674  0.674  0.997  1.0
  Ag  Ag8  1  0.000  0.326  0.997  1.0
  Ag  Ag9  1  0.000  0.674  0.497  1.0
  Ag  Ag10  1  0.326  0.326  0.497  1.0
  Ag  Ag11  1  0.326  0.000  0.997  1.0
  O  O12  1  0.667  0.333  0.067  1.0
  O  O13  1  0.333  0.667  0.567  1.0
  O  O14  1  0.667  0.333  0.567  1.0
  O  O15  1  0.333  0.667  0.067  1.0
  O  O16  1  0.000  0.000  0.911  1.0
  O  O17  1  0.000  0.000  0.411  1.0
  O  O18  1  0.445  0.000  0.821  1.0
  O  O19  1  0.445  0.445  0.321  1.0
  O  O20  1  0.000  0.555  0.321  1.0
  O  O21  1  0.000  0.445  0.821  1.0
  O  O22  1  0.555  0.555  0.821  1.0
  O  O23  1  0.555  0.000  0.321  1.0
  O  O24  1  0.272  0.000  0.181  1.0
  O  O25  1  0.272  0.272  0.681  1.0
  O  O26  1  0.000  0.728  0.681  1.0
  O  O27  1  0.000  0.272  0.181  1.0
  O  O28  1  0.728  0.728  0.181  1.0
  O  O29  1  0.728  0.000  0.681  1.0
[/CIF]
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The material structure described by AgAlO3 crystallizes in the hexagonal P6_3cm space group. Ag(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form AgO5 trigonal bipyramids that share corners with two equivalent Al(2)O4 tetrahedra and corners with six equivalent Ag(1)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with six equivalent Ag(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ag(1) and one Al(1) atom to form corner-sharing OAlAg3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Ag(1) and one Al(2) atom to form corner-sharing OAlAg3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ag(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ag(1), one Al(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_AlAgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.049
_cell_length_b   6.049
_cell_length_c   10.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   343.775
_cell_formula_units_Z   6
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
  Al  Al0  1  0.667  0.333  0.243  1.0
  Al  Al1  1  0.333  0.667  0.743  1.0
  Al  Al2  1  0.667  0.333  0.743  1.0
  Al  Al3  1  0.333  0.667  0.243  1.0
  Al  Al4  1  0.000  0.000  0.744  1.0
  Al  Al5  1  0.000  0.000  0.244  1.0
  Ag  Ag6  1  0.674  0.000  0.497  1.0
  Ag  Ag7  1  0.674  0.674  0.997  1.0
  Ag  Ag8  1  0.000  0.326  0.997  1.0
  Ag  Ag9  1  0.000  0.674  0.497  1.0
  Ag  Ag10  1  0.326  0.326  0.497  1.0
  Ag  Ag11  1  0.326  0.000  0.997  1.0
  O  O12  1  0.667  0.333  0.067  1.0
  O  O13  1  0.333  0.667  0.567  1.0
  O  O14  1  0.667  0.333  0.567  1.0
  O  O15  1  0.333  0.667  0.067  1.0
  O  O16  1  0.000  0.000  0.911  1.0
  O  O17  1  0.000  0.000  0.411  1.0
  O  O18  1  0.445  0.000  0.821  1.0
  O  O19  1  0.445  0.445  0.321  1.0
  O  O20  1  0.000  0.555  0.321  1.0
  O  O21  1  0.000  0.445  0.821  1.0
  O  O22  1  0.555  0.555  0.821  1.0
  O  O23  1  0.555  0.000  0.321  1.0
  O  O24  1  0.272  0.000  0.181  1.0
  O  O25  1  0.272  0.272  0.681  1.0
  O  O26  1  0.000  0.728  0.681  1.0
  O  O27  1  0.000  0.272  0.181  1.0
  O  O28  1  0.728  0.728  0.181  1.0
  O  O29  1  0.728  0.000  0.681  1.0
[/CIF]
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