The crystal structure described by SnAlO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to 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 Sn(1)O5 trigonal bipyramids. Sn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted SnO5 trigonal bipyramids that share corners with two equivalent Al(2)O4 tetrahedra and corners with six equivalent Sn(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Al(2), two equivalent Al(1), and one Sn(1) atom to form corner-sharing OAl3Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.769
_cell_length_c   12.347
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.834
_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  0.271  1.0
  Al  Al1  1  0.333  0.667  0.771  1.0
  Al  Al2  1  0.667  0.333  0.771  1.0
  Al  Al3  1  0.333  0.667  0.271  1.0
  Al  Al4  1  0.000  0.000  0.732  1.0
  Al  Al5  1  0.000  0.000  0.232  1.0
  Sn  Sn6  1  0.700  0.000  0.497  1.0
  Sn  Sn7  1  0.700  0.700  0.997  1.0
  Sn  Sn8  1  0.000  0.300  0.997  1.0
  Sn  Sn9  1  0.000  0.700  0.497  1.0
  Sn  Sn10  1  0.300  0.300  0.497  1.0
  Sn  Sn11  1  0.300  0.000  0.997  1.0
  O  O12  1  0.667  0.333  0.028  1.0
  O  O13  1  0.333  0.667  0.528  1.0
  O  O14  1  0.667  0.333  0.528  1.0
  O  O15  1  0.333  0.667  0.028  1.0
  O  O16  1  0.000  0.000  0.879  1.0
  O  O17  1  0.000  0.000  0.379  1.0
  O  O18  1  0.455  0.000  0.842  1.0
  O  O19  1  0.455  0.455  0.342  1.0
  O  O20  1  0.000  0.545  0.342  1.0
  O  O21  1  0.000  0.455  0.842  1.0
  O  O22  1  0.545  0.545  0.842  1.0
  O  O23  1  0.545  0.000  0.342  1.0
  O  O24  1  0.299  0.000  0.183  1.0
  O  O25  1  0.299  0.299  0.683  1.0
  O  O26  1  0.000  0.701  0.683  1.0
  O  O27  1  0.000  0.299  0.183  1.0
  O  O28  1  0.701  0.701  0.183  1.0
  O  O29  1  0.701  0.000  0.683  1.0
[/CIF]
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The crystal structure described by SnAlO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to 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 Sn(1)O5 trigonal bipyramids. Sn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted SnO5 trigonal bipyramids that share corners with two equivalent Al(2)O4 tetrahedra and corners with six equivalent Sn(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Al(2), two equivalent Al(1), and one Sn(1) atom to form corner-sharing OAl3Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.769
_cell_length_c   12.347
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.834
_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  0.271  1.0
  Al  Al1  1  0.333  0.667  0.771  1.0
  Al  Al2  1  0.667  0.333  0.771  1.0
  Al  Al3  1  0.333  0.667  0.271  1.0
  Al  Al4  1  0.000  0.000  0.732  1.0
  Al  Al5  1  0.000  0.000  0.232  1.0
  Sn  Sn6  1  0.700  0.000  0.497  1.0
  Sn  Sn7  1  0.700  0.700  0.997  1.0
  Sn  Sn8  1  0.000  0.300  0.997  1.0
  Sn  Sn9  1  0.000  0.700  0.497  1.0
  Sn  Sn10  1  0.300  0.300  0.497  1.0
  Sn  Sn11  1  0.300  0.000  0.997  1.0
  O  O12  1  0.667  0.333  0.028  1.0
  O  O13  1  0.333  0.667  0.528  1.0
  O  O14  1  0.667  0.333  0.528  1.0
  O  O15  1  0.333  0.667  0.028  1.0
  O  O16  1  0.000  0.000  0.879  1.0
  O  O17  1  0.000  0.000  0.379  1.0
  O  O18  1  0.455  0.000  0.842  1.0
  O  O19  1  0.455  0.455  0.342  1.0
  O  O20  1  0.000  0.545  0.342  1.0
  O  O21  1  0.000  0.455  0.842  1.0
  O  O22  1  0.545  0.545  0.842  1.0
  O  O23  1  0.545  0.000  0.342  1.0
  O  O24  1  0.299  0.000  0.183  1.0
  O  O25  1  0.299  0.299  0.683  1.0
  O  O26  1  0.000  0.701  0.683  1.0
  O  O27  1  0.000  0.299  0.183  1.0
  O  O28  1  0.701  0.701  0.183  1.0
  O  O29  1  0.701  0.000  0.683  1.0
[/CIF]
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