The material structure described by SrSi2O5 crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded to one O(3), two equivalent O(4), three equivalent O(1), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Si(2)O6 octahedra, edges with three equivalent Si(1)O4 tetrahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Si(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Si(2)O6 octahedra, and edges with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the second Si site, Si(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SiO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Si(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Sr(1), one Si(1), and one Si(2) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to three equivalent Sr(1), one Si(1), and one Si(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_SrSi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.387
_cell_length_c   13.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.136
_symmetry_Int_Tables_number   1
_cell_volume   339.500
_cell_formula_units_Z   4
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  0.661  0.339  0.916  1.0
  Sr  Sr1  1  0.161  0.839  0.584  1.0
  Sr  Sr2  1  0.339  0.661  0.084  1.0
  Sr  Sr3  1  0.839  0.161  0.416  1.0
  Si  Si4  1  0.494  0.506  0.639  1.0
  Si  Si5  1  0.006  0.994  0.139  1.0
  Si  Si6  1  0.174  0.826  0.316  1.0
  Si  Si7  1  0.994  0.006  0.861  1.0
  Si  Si8  1  0.826  0.174  0.684  1.0
  Si  Si9  1  0.506  0.494  0.361  1.0
  Si  Si10  1  0.326  0.674  0.816  1.0
  Si  Si11  1  0.674  0.326  0.184  1.0
  O  O12  1  0.835  0.165  0.103  1.0
  O  O13  1  0.844  0.665  0.406  1.0
  O  O14  1  0.165  0.344  0.906  1.0
  O  O15  1  0.165  0.835  0.897  1.0
  O  O16  1  0.335  0.665  0.397  1.0
  O  O17  1  0.665  0.335  0.603  1.0
  O  O18  1  0.488  0.512  0.757  1.0
  O  O19  1  0.665  0.844  0.594  1.0
  O  O20  1  0.012  0.988  0.257  1.0
  O  O21  1  0.335  0.156  0.406  1.0
  O  O22  1  0.344  0.165  0.094  1.0
  O  O23  1  0.003  0.497  0.750  1.0
  O  O24  1  0.156  0.335  0.594  1.0
  O  O25  1  0.656  0.835  0.906  1.0
  O  O26  1  0.835  0.656  0.094  1.0
  O  O27  1  0.988  0.012  0.743  1.0
  O  O28  1  0.997  0.503  0.250  1.0
  O  O29  1  0.497  0.003  0.250  1.0
  O  O30  1  0.512  0.488  0.243  1.0
  O  O31  1  0.503  0.997  0.750  1.0
[/CIF]
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The material structure described by SrSi2O5 crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded to one O(3), two equivalent O(4), three equivalent O(1), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Si(2)O6 octahedra, edges with three equivalent Si(1)O4 tetrahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Si(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Si(2)O6 octahedra, and edges with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the second Si site, Si(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SiO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Si(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Sr(1), one Si(1), and one Si(2) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to three equivalent Sr(1), one Si(1), and one Si(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_SrSi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.387
_cell_length_c   13.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.136
_symmetry_Int_Tables_number   1
_cell_volume   339.500
_cell_formula_units_Z   4
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  0.661  0.339  0.916  1.0
  Sr  Sr1  1  0.161  0.839  0.584  1.0
  Sr  Sr2  1  0.339  0.661  0.084  1.0
  Sr  Sr3  1  0.839  0.161  0.416  1.0
  Si  Si4  1  0.494  0.506  0.639  1.0
  Si  Si5  1  0.006  0.994  0.139  1.0
  Si  Si6  1  0.174  0.826  0.316  1.0
  Si  Si7  1  0.994  0.006  0.861  1.0
  Si  Si8  1  0.826  0.174  0.684  1.0
  Si  Si9  1  0.506  0.494  0.361  1.0
  Si  Si10  1  0.326  0.674  0.816  1.0
  Si  Si11  1  0.674  0.326  0.184  1.0
  O  O12  1  0.835  0.165  0.103  1.0
  O  O13  1  0.844  0.665  0.406  1.0
  O  O14  1  0.165  0.344  0.906  1.0
  O  O15  1  0.165  0.835  0.897  1.0
  O  O16  1  0.335  0.665  0.397  1.0
  O  O17  1  0.665  0.335  0.603  1.0
  O  O18  1  0.488  0.512  0.757  1.0
  O  O19  1  0.665  0.844  0.594  1.0
  O  O20  1  0.012  0.988  0.257  1.0
  O  O21  1  0.335  0.156  0.406  1.0
  O  O22  1  0.344  0.165  0.094  1.0
  O  O23  1  0.003  0.497  0.750  1.0
  O  O24  1  0.156  0.335  0.594  1.0
  O  O25  1  0.656  0.835  0.906  1.0
  O  O26  1  0.835  0.656  0.094  1.0
  O  O27  1  0.988  0.012  0.743  1.0
  O  O28  1  0.997  0.503  0.250  1.0
  O  O29  1  0.497  0.003  0.250  1.0
  O  O30  1  0.512  0.488  0.243  1.0
  O  O31  1  0.503  0.997  0.750  1.0
[/CIF]
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