The material structure described by SrAl2O4 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), and two equivalent O(4) atoms to form corner-sharing AlO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_SrAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.155
_cell_length_c   8.502
_cell_angle_alpha   86.878
_cell_angle_beta   86.878
_cell_angle_gamma   58.834
_symmetry_Int_Tables_number   1
_cell_volume   192.917
_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
  Sr  Sr0  1  0.020  0.006  0.759  1.0
  Sr  Sr1  1  0.994  0.980  0.241  1.0
  Al  Al2  1  0.650  0.681  0.447  1.0
  Al  Al3  1  0.319  0.350  0.553  1.0
  Al  Al4  1  0.373  0.293  0.944  1.0
  Al  Al5  1  0.707  0.627  0.056  1.0
  O  O6  1  0.452  0.216  0.743  1.0
  O  O7  1  0.784  0.548  0.257  1.0
  O  O8  1  0.568  0.058  0.429  1.0
  O  O9  1  0.309  0.691  0.500  1.0
  O  O10  1  0.942  0.432  0.571  1.0
  O  O11  1  0.370  0.977  0.029  1.0
  O  O12  1  0.678  0.322  0.000  1.0
  O  O13  1  0.023  0.630  0.971  1.0
[/CIF]
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The material structure described by SrAl2O4 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), and two equivalent O(4) atoms to form corner-sharing AlO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_SrAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.155
_cell_length_c   8.502
_cell_angle_alpha   86.878
_cell_angle_beta   86.878
_cell_angle_gamma   58.834
_symmetry_Int_Tables_number   1
_cell_volume   192.917
_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
  Sr  Sr0  1  0.020  0.006  0.759  1.0
  Sr  Sr1  1  0.994  0.980  0.241  1.0
  Al  Al2  1  0.650  0.681  0.447  1.0
  Al  Al3  1  0.319  0.350  0.553  1.0
  Al  Al4  1  0.373  0.293  0.944  1.0
  Al  Al5  1  0.707  0.627  0.056  1.0
  O  O6  1  0.452  0.216  0.743  1.0
  O  O7  1  0.784  0.548  0.257  1.0
  O  O8  1  0.568  0.058  0.429  1.0
  O  O9  1  0.309  0.691  0.500  1.0
  O  O10  1  0.942  0.432  0.571  1.0
  O  O11  1  0.370  0.977  0.029  1.0
  O  O12  1  0.678  0.322  0.000  1.0
  O  O13  1  0.023  0.630  0.971  1.0
[/CIF]
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