The compound described by Sr10Al4Si6O crystallizes in the orthorhombic Immm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Si(2), four equivalent Si(1), and one O(1) atom. In the second Sr site, Sr(2) is bonded in a single-bond geometry to four equivalent Al(1), four equivalent Si(1), and one O(1) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to two equivalent Al(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the fourth Sr site, Sr(4) is bonded in a linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. In the fifth Sr site, Sr(5) is bonded to eight equivalent Al(1) and four equivalent Si(2) atoms to form face-sharing SrAl8Si4 cuboctahedra. Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(5), one Al(1), one Si(1), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), three equivalent Sr(3), and one Al(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Sr(5), four equivalent Sr(3), and two equivalent Al(1) atoms. O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sr(4) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr10Al4Si6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.662
_cell_length_b   11.662
_cell_length_c   11.662
_cell_angle_alpha   156.063
_cell_angle_beta   110.119
_cell_angle_gamma   75.051
_symmetry_Int_Tables_number   1
_cell_volume   597.615
_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  0.844  0.844  0.000  1.0
  Sr  Sr1  1  0.187  0.000  0.187  1.0
  Sr  Sr2  1  0.470  0.807  0.663  1.0
  Sr  Sr3  1  0.856  0.193  0.663  1.0
  Sr  Sr4  1  0.813  0.000  0.813  1.0
  Sr  Sr5  1  0.000  0.500  0.500  1.0
  Sr  Sr6  1  0.156  0.156  0.000  1.0
  Sr  Sr7  1  0.530  0.193  0.337  1.0
  Sr  Sr8  1  0.500  0.000  0.500  1.0
  Sr  Sr9  1  0.144  0.807  0.337  1.0
  Al  Al10  1  0.413  0.571  0.843  1.0
  Al  Al11  1  0.272  0.429  0.843  1.0
  Al  Al12  1  0.587  0.429  0.157  1.0
  Al  Al13  1  0.728  0.571  0.157  1.0
  Si  Si14  1  0.690  0.368  0.322  1.0
  Si  Si15  1  0.646  0.646  0.000  1.0
  Si  Si16  1  0.310  0.632  0.678  1.0
  Si  Si17  1  0.354  0.354  0.000  1.0
  Si  Si18  1  0.046  0.368  0.678  1.0
  Si  Si19  1  0.954  0.632  0.322  1.0
  O  O20  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Sr10Al4Si6O crystallizes in the orthorhombic Immm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Si(2), four equivalent Si(1), and one O(1) atom. In the second Sr site, Sr(2) is bonded in a single-bond geometry to four equivalent Al(1), four equivalent Si(1), and one O(1) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to two equivalent Al(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the fourth Sr site, Sr(4) is bonded in a linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. In the fifth Sr site, Sr(5) is bonded to eight equivalent Al(1) and four equivalent Si(2) atoms to form face-sharing SrAl8Si4 cuboctahedra. Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), two equivalent Sr(3), two equivalent Sr(5), one Al(1), one Si(1), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), three equivalent Sr(3), and one Al(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Sr(5), four equivalent Sr(3), and two equivalent Al(1) atoms. O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sr(4) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr10Al4Si6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.662
_cell_length_b   11.662
_cell_length_c   11.662
_cell_angle_alpha   156.063
_cell_angle_beta   110.119
_cell_angle_gamma   75.051
_symmetry_Int_Tables_number   1
_cell_volume   597.615
_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  0.844  0.844  0.000  1.0
  Sr  Sr1  1  0.187  0.000  0.187  1.0
  Sr  Sr2  1  0.470  0.807  0.663  1.0
  Sr  Sr3  1  0.856  0.193  0.663  1.0
  Sr  Sr4  1  0.813  0.000  0.813  1.0
  Sr  Sr5  1  0.000  0.500  0.500  1.0
  Sr  Sr6  1  0.156  0.156  0.000  1.0
  Sr  Sr7  1  0.530  0.193  0.337  1.0
  Sr  Sr8  1  0.500  0.000  0.500  1.0
  Sr  Sr9  1  0.144  0.807  0.337  1.0
  Al  Al10  1  0.413  0.571  0.843  1.0
  Al  Al11  1  0.272  0.429  0.843  1.0
  Al  Al12  1  0.587  0.429  0.157  1.0
  Al  Al13  1  0.728  0.571  0.157  1.0
  Si  Si14  1  0.690  0.368  0.322  1.0
  Si  Si15  1  0.646  0.646  0.000  1.0
  Si  Si16  1  0.310  0.632  0.678  1.0
  Si  Si17  1  0.354  0.354  0.000  1.0
  Si  Si18  1  0.046  0.368  0.678  1.0
  Si  Si19  1  0.954  0.632  0.322  1.0
  O  O20  1  0.000  0.000  0.000  1.0
[/CIF]
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