The material described by Sr13Al6Si8O crystallizes in the monoclinic C2/m space group. There are seven inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to two equivalent Al(2), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Sr site, Sr(2) is bonded in a single-bond geometry to two equivalent Al(1), two equivalent Al(3), two equivalent Si(3), two equivalent Si(4), and one O(1) atom. In the third Sr site, Sr(3) is bonded to two equivalent Al(1), two equivalent Al(3), four equivalent Al(2), two equivalent Si(1), and two equivalent Si(2) atoms to form a mixture of face and edge-sharing SrAl8Si4 cuboctahedra. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to two equivalent Al(3), two equivalent Si(2), and three equivalent Si(4) atoms. In the fifth Sr site, Sr(5) is bonded in a 7-coordinate geometry to two equivalent Al(1), two equivalent Si(3), and three equivalent Si(1) atoms. In the sixth Sr site, Sr(6) is bonded in a distorted single-bond geometry to one Si(2), two equivalent Si(3), two equivalent Si(4), and one O(1) atom. In the seventh Sr site, Sr(7) is bonded in a linear geometry to two equivalent Si(3), two equivalent Si(4), and two equivalent O(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(5), one Al(3), one Si(1), and one Si(3) atom. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(3), one Al(2), one Si(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(4), one Al(1), one Si(2), and one Si(4) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), three equivalent Sr(5), one Al(1), and one Al(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sr(6), two equivalent Sr(1), two equivalent Sr(3), two equivalent Sr(4), one Al(2), and one Al(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(7), two equivalent Sr(2), two equivalent Sr(5), two equivalent Sr(6), and one Al(1) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Sr(7), two equivalent Sr(2), two equivalent Sr(6), three equivalent Sr(4), and one Al(3) atom. O(1) is bonded to two equivalent Sr(2), two equivalent Sr(6), and two equivalent Sr(7) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr13Al6Si8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.702
_cell_length_b   11.702
_cell_length_c   17.561
_cell_angle_alpha   55.631
_cell_angle_beta   55.631
_cell_angle_gamma   23.872
_symmetry_Int_Tables_number   1
_cell_volume   794.762
_cell_formula_units_Z   1
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  0.194  0.194  0.853  1.0
  Sr  Sr1  1  0.998  0.998  0.359  1.0
  Sr  Sr2  1  0.999  0.999  0.121  1.0
  Sr  Sr3  1  0.193  0.193  0.609  1.0
  Sr  Sr4  1  0.185  0.185  0.109  1.0
  Sr  Sr5  1  0.155  0.155  0.383  1.0
  Sr  Sr6  1  0.500  0.500  0.500  1.0
  Sr  Sr7  1  0.845  0.845  0.617  1.0
  Sr  Sr8  1  0.807  0.807  0.391  1.0
  Sr  Sr9  1  0.815  0.815  0.891  1.0
  Sr  Sr10  1  0.806  0.806  0.147  1.0
  Sr  Sr11  1  0.001  0.001  0.879  1.0
  Sr  Sr12  1  0.002  0.002  0.641  1.0
  Al  Al13  1  0.434  0.434  0.809  1.0
  Al  Al14  1  0.569  0.569  0.948  1.0
  Al  Al15  1  0.428  0.428  0.295  1.0
  Al  Al16  1  0.566  0.566  0.191  1.0
  Al  Al17  1  0.572  0.572  0.705  1.0
  Al  Al18  1  0.431  0.431  0.052  1.0
  Si  Si19  1  0.639  0.639  0.016  1.0
  Si  Si20  1  0.645  0.645  0.771  1.0
  Si  Si21  1  0.355  0.355  0.229  1.0
  Si  Si22  1  0.369  0.369  0.734  1.0
  Si  Si23  1  0.367  0.367  0.466  1.0
  Si  Si24  1  0.633  0.633  0.534  1.0
  Si  Si25  1  0.631  0.631  0.266  1.0
  Si  Si26  1  0.361  0.361  0.984  1.0
  O  O27  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Sr13Al6Si8O crystallizes in the monoclinic C2/m space group. There are seven inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to two equivalent Al(2), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Sr site, Sr(2) is bonded in a single-bond geometry to two equivalent Al(1), two equivalent Al(3), two equivalent Si(3), two equivalent Si(4), and one O(1) atom. In the third Sr site, Sr(3) is bonded to two equivalent Al(1), two equivalent Al(3), four equivalent Al(2), two equivalent Si(1), and two equivalent Si(2) atoms to form a mixture of face and edge-sharing SrAl8Si4 cuboctahedra. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to two equivalent Al(3), two equivalent Si(2), and three equivalent Si(4) atoms. In the fifth Sr site, Sr(5) is bonded in a 7-coordinate geometry to two equivalent Al(1), two equivalent Si(3), and three equivalent Si(1) atoms. In the sixth Sr site, Sr(6) is bonded in a distorted single-bond geometry to one Si(2), two equivalent Si(3), two equivalent Si(4), and one O(1) atom. In the seventh Sr site, Sr(7) is bonded in a linear geometry to two equivalent Si(3), two equivalent Si(4), and two equivalent O(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(5), one Al(3), one Si(1), and one Si(3) atom. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), four equivalent Sr(3), one Al(2), one Si(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(4), one Al(1), one Si(2), and one Si(4) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), three equivalent Sr(5), one Al(1), and one Al(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sr(6), two equivalent Sr(1), two equivalent Sr(3), two equivalent Sr(4), one Al(2), and one Al(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sr(1), one Sr(7), two equivalent Sr(2), two equivalent Sr(5), two equivalent Sr(6), and one Al(1) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Sr(7), two equivalent Sr(2), two equivalent Sr(6), three equivalent Sr(4), and one Al(3) atom. O(1) is bonded to two equivalent Sr(2), two equivalent Sr(6), and two equivalent Sr(7) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr13Al6Si8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.702
_cell_length_b   11.702
_cell_length_c   17.561
_cell_angle_alpha   55.631
_cell_angle_beta   55.631
_cell_angle_gamma   23.872
_symmetry_Int_Tables_number   1
_cell_volume   794.762
_cell_formula_units_Z   1
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  0.194  0.194  0.853  1.0
  Sr  Sr1  1  0.998  0.998  0.359  1.0
  Sr  Sr2  1  0.999  0.999  0.121  1.0
  Sr  Sr3  1  0.193  0.193  0.609  1.0
  Sr  Sr4  1  0.185  0.185  0.109  1.0
  Sr  Sr5  1  0.155  0.155  0.383  1.0
  Sr  Sr6  1  0.500  0.500  0.500  1.0
  Sr  Sr7  1  0.845  0.845  0.617  1.0
  Sr  Sr8  1  0.807  0.807  0.391  1.0
  Sr  Sr9  1  0.815  0.815  0.891  1.0
  Sr  Sr10  1  0.806  0.806  0.147  1.0
  Sr  Sr11  1  0.001  0.001  0.879  1.0
  Sr  Sr12  1  0.002  0.002  0.641  1.0
  Al  Al13  1  0.434  0.434  0.809  1.0
  Al  Al14  1  0.569  0.569  0.948  1.0
  Al  Al15  1  0.428  0.428  0.295  1.0
  Al  Al16  1  0.566  0.566  0.191  1.0
  Al  Al17  1  0.572  0.572  0.705  1.0
  Al  Al18  1  0.431  0.431  0.052  1.0
  Si  Si19  1  0.639  0.639  0.016  1.0
  Si  Si20  1  0.645  0.645  0.771  1.0
  Si  Si21  1  0.355  0.355  0.229  1.0
  Si  Si22  1  0.369  0.369  0.734  1.0
  Si  Si23  1  0.367  0.367  0.466  1.0
  Si  Si24  1  0.633  0.633  0.534  1.0
  Si  Si25  1  0.631  0.631  0.266  1.0
  Si  Si26  1  0.361  0.361  0.984  1.0
  O  O27  1  0.000  0.000  0.500  1.0
[/CIF]
.