data_SrAl4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   5.6
_cell_angle_alpha   103.25
_cell_angle_beta   103.25
_cell_angle_gamma   69.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl4O7
_chemical_formula_sum   'Sr2 Al8 O14'
_cell_volume   323.49
_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  0.21  0.83  0.34  1.0
  Sr  Sr1  1  0.43  0.17  0.03  1.0
  Al  Al2  1  0.63  0.45  0.27  1.0
  Al  Al3  1  0.79  0.45  0.42  1.0
  Al  Al4  1  0.01  0.55  0.11  1.0
  Al  Al5  1  0.85  0.55  0.96  1.0
  Al  Al6  1  0.65  0.79  0.1  1.0
  Al  Al7  1  0.77  0.79  0.59  1.0
  Al  Al8  1  0.99  0.21  0.28  1.0
  Al  Al9  1  0.87  0.21  0.79  1.0
  O  O10  1  0.68  0.51  0.86  1.0
  O  O11  1  0.18  0.51  0.2  1.0
  O  O12  1  0.96  0.49  0.51  1.0
  O  O13  1  0.46  0.49  0.18  1.0
  O  O14  1  0.44  0.8  0.77  1.0
  O  O15  1  0.98  0.8  0.92  1.0
  O  O16  1  0.2  0.2  0.61  1.0
  O  O17  1  0.66  0.2  0.46  1.0
  O  O18  1  0.14  0.35  0.12  1.0
  O  O19  1  0.72  0.35  0.94  1.0
  O  O20  1  0.43  0.77  0.03  1.0
  O  O21  1  0.21  0.23  0.34  1.0
  O  O22  1  0.92  0.65  0.43  1.0
  O  O23  1  0.5  0.65  0.25  1.0

data_SrAl4O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.6
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   69.25
_cell_angle_beta   76.75
_cell_angle_gamma   76.75
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrAl4O7
_chemical_formula_sum   'Sr2 Al8 O14'
_cell_volume   323.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.61  0.17  1.0
  Al  Al1  2  0.08  0.19  0.55  1.0
  Al  Al2  2  0.09  0.83  0.79  1.0
  Al  Al3  2  0.23  0.03  0.55  1.0
  Al  Al4  2  0.4  0.05  0.21  1.0
  O  O5  2  0.01  0.64  0.49  1.0
  O  O6  2  0.07  0.32  0.35  1.0
  O  O7  2  0.16  0.61  0.77  1.0
  O  O8  2  0.25  0.9  0.35  1.0
  O  O9  2  0.27  0.16  0.8  1.0
  O  O10  2  0.32  0.86  0.51  1.0
  O  O11  2  0.42  0.62  0.8  1.0

Sr Sr Al Al Al Al Al Al Al Al O O O O O O O O O O O O O O
SrAl4O7 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), and two equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.63 Å. The Sr(1)-O(4) bond length is 2.69 Å. The Sr(1)-O(5) bond length is 2.37 Å. The Sr(1)-O(7) bond length is 2.61 Å. There is one shorter (2.67 Å) and one longer (2.98 Å) Sr(1)-O(3) bond length. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Al(2), one O(2), one O(4), one O(5), and one O(6) atom. The Al(1)-Al(2) bond length is 1.34 Å. The Al(1)-O(2) bond length is 1.32 Å. The Al(1)-O(4) bond length is 2.36 Å. The Al(1)-O(5) bond length is 1.59 Å. The Al(1)-O(6) bond length is 2.01 Å. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Al(1) and one O(1) atom. The Al(2)-O(1) bond length is 1.50 Å. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one O(3), one O(5), and one O(7) atom. The Al(3)-O(3) bond length is 2.19 Å. The Al(3)-O(5) bond length is 2.32 Å. The Al(3)-O(7) bond length is 1.78 Å. In the fourth Al site, Al(4) is bonded in a distorted L-shaped geometry to one O(4) and one O(6) atom. The Al(4)-O(4) bond length is 2.20 Å. The Al(4)-O(6) bond length is 1.60 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Al(2) and one O(6) atom. The O(1)-O(6) bond length is 1.33 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Sr(1), one Al(1), and one O(5) atom. The O(2)-O(5) bond length is 1.37 Å. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Al(3), and one O(7) atom. The O(3)-O(7) bond length is 1.54 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Al(1), and one Al(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Al(1), one Al(3), one O(2), and one O(7) atom. The O(5)-O(7) bond length is 1.64 Å. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Al(1), one Al(4), and one O(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1), one Al(3), one O(3), and one O(5) atom.