The material described by SrAl2O4 crystallizes in the hexagonal P6_122 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   25.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   592.188
_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
  Sr  Sr0  1  0.998  0.995  0.250  1.0
  Sr  Sr1  1  0.002  0.005  0.750  1.0
  Sr  Sr2  1  0.005  0.002  0.583  1.0
  Sr  Sr3  1  0.998  0.002  0.917  1.0
  Sr  Sr4  1  0.995  0.998  0.083  1.0
  Sr  Sr5  1  0.002  0.998  0.417  1.0
  Al  Al6  1  0.350  0.642  0.851  1.0
  Al  Al7  1  0.350  0.708  0.315  1.0
  Al  Al8  1  0.358  0.708  0.185  1.0
  Al  Al9  1  0.292  0.642  0.649  1.0
  Al  Al10  1  0.292  0.650  0.518  1.0
  Al  Al11  1  0.358  0.650  0.982  1.0
  Al  Al12  1  0.708  0.358  0.149  1.0
  Al  Al13  1  0.642  0.350  0.482  1.0
  Al  Al14  1  0.650  0.292  0.815  1.0
  Al  Al15  1  0.642  0.292  0.685  1.0
  Al  Al16  1  0.708  0.350  0.018  1.0
  Al  Al17  1  0.650  0.358  0.351  1.0
  O  O18  1  0.845  0.423  0.083  1.0
  O  O19  1  0.577  0.155  0.750  1.0
  O  O20  1  0.577  0.423  0.417  1.0
  O  O21  1  0.637  0.008  0.351  1.0
  O  O22  1  0.629  0.992  0.649  1.0
  O  O23  1  0.371  0.363  0.018  1.0
  O  O24  1  0.363  0.371  0.316  1.0
  O  O25  1  0.340  0.340  0.667  1.0
  O  O26  1  0.637  0.629  0.816  1.0
  O  O27  1  0.660  0.660  0.167  1.0
  O  O28  1  0.629  0.637  0.518  1.0
  O  O29  1  0.363  0.992  0.851  1.0
  O  O30  1  0.371  0.008  0.149  1.0
  O  O31  1  0.340  0.000  0.500  1.0
  O  O32  1  0.423  0.577  0.917  1.0
  O  O33  1  0.423  0.845  0.250  1.0
  O  O34  1  0.155  0.577  0.583  1.0
  O  O35  1  0.660  0.000  0.000  1.0
  O  O36  1  0.008  0.637  0.982  1.0
  O  O37  1  0.000  0.660  0.333  1.0
  O  O38  1  0.992  0.629  0.684  1.0
  O  O39  1  0.000  0.340  0.833  1.0
  O  O40  1  0.008  0.371  0.184  1.0
  O  O41  1  0.992  0.363  0.482  1.0
[/CIF]
.
The material described by SrAl2O4 crystallizes in the hexagonal P6_122 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   25.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   592.188
_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
  Sr  Sr0  1  0.998  0.995  0.250  1.0
  Sr  Sr1  1  0.002  0.005  0.750  1.0
  Sr  Sr2  1  0.005  0.002  0.583  1.0
  Sr  Sr3  1  0.998  0.002  0.917  1.0
  Sr  Sr4  1  0.995  0.998  0.083  1.0
  Sr  Sr5  1  0.002  0.998  0.417  1.0
  Al  Al6  1  0.350  0.642  0.851  1.0
  Al  Al7  1  0.350  0.708  0.315  1.0
  Al  Al8  1  0.358  0.708  0.185  1.0
  Al  Al9  1  0.292  0.642  0.649  1.0
  Al  Al10  1  0.292  0.650  0.518  1.0
  Al  Al11  1  0.358  0.650  0.982  1.0
  Al  Al12  1  0.708  0.358  0.149  1.0
  Al  Al13  1  0.642  0.350  0.482  1.0
  Al  Al14  1  0.650  0.292  0.815  1.0
  Al  Al15  1  0.642  0.292  0.685  1.0
  Al  Al16  1  0.708  0.350  0.018  1.0
  Al  Al17  1  0.650  0.358  0.351  1.0
  O  O18  1  0.845  0.423  0.083  1.0
  O  O19  1  0.577  0.155  0.750  1.0
  O  O20  1  0.577  0.423  0.417  1.0
  O  O21  1  0.637  0.008  0.351  1.0
  O  O22  1  0.629  0.992  0.649  1.0
  O  O23  1  0.371  0.363  0.018  1.0
  O  O24  1  0.363  0.371  0.316  1.0
  O  O25  1  0.340  0.340  0.667  1.0
  O  O26  1  0.637  0.629  0.816  1.0
  O  O27  1  0.660  0.660  0.167  1.0
  O  O28  1  0.629  0.637  0.518  1.0
  O  O29  1  0.363  0.992  0.851  1.0
  O  O30  1  0.371  0.008  0.149  1.0
  O  O31  1  0.340  0.000  0.500  1.0
  O  O32  1  0.423  0.577  0.917  1.0
  O  O33  1  0.423  0.845  0.250  1.0
  O  O34  1  0.155  0.577  0.583  1.0
  O  O35  1  0.660  0.000  0.000  1.0
  O  O36  1  0.008  0.637  0.982  1.0
  O  O37  1  0.000  0.660  0.333  1.0
  O  O38  1  0.992  0.629  0.684  1.0
  O  O39  1  0.000  0.340  0.833  1.0
  O  O40  1  0.008  0.371  0.184  1.0
  O  O41  1  0.992  0.363  0.482  1.0
[/CIF]
.