The crystal structure described by Sr3SiO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form distorted corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   10.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.882
_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  0.500  0.000  0.491  1.0
  Sr  Sr1  1  0.000  0.500  0.009  1.0
  Sr  Sr2  1  0.000  0.500  0.509  1.0
  Sr  Sr3  1  0.500  0.000  0.991  1.0
  Sr  Sr4  1  0.188  0.188  0.250  1.0
  Sr  Sr5  1  0.312  0.688  0.250  1.0
  Sr  Sr6  1  0.688  0.312  0.250  1.0
  Sr  Sr7  1  0.812  0.812  0.250  1.0
  Sr  Sr8  1  0.312  0.312  0.750  1.0
  Sr  Sr9  1  0.188  0.812  0.750  1.0
  Sr  Sr10  1  0.812  0.188  0.750  1.0
  Sr  Sr11  1  0.688  0.688  0.750  1.0
  Si  Si12  1  0.500  0.500  0.500  1.0
  Si  Si13  1  0.000  0.000  0.500  1.0
  Si  Si14  1  0.000  0.000  0.000  1.0
  Si  Si15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.721  1.0
  O  O17  1  0.000  0.500  0.779  1.0
  O  O18  1  0.000  0.500  0.279  1.0
  O  O19  1  0.500  0.000  0.221  1.0
  O  O20  1  0.901  0.158  0.092  1.0
  O  O21  1  0.099  0.842  0.092  1.0
  O  O22  1  0.158  0.901  0.408  1.0
  O  O23  1  0.658  0.599  0.092  1.0
  O  O24  1  0.342  0.401  0.092  1.0
  O  O25  1  0.599  0.658  0.408  1.0
  O  O26  1  0.401  0.342  0.408  1.0
  O  O27  1  0.842  0.099  0.408  1.0
  O  O28  1  0.599  0.342  0.908  1.0
  O  O29  1  0.401  0.658  0.908  1.0
  O  O30  1  0.342  0.599  0.592  1.0
  O  O31  1  0.842  0.901  0.908  1.0
  O  O32  1  0.658  0.401  0.592  1.0
  O  O33  1  0.099  0.158  0.592  1.0
  O  O34  1  0.901  0.842  0.592  1.0
  O  O35  1  0.158  0.099  0.908  1.0
[/CIF]
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The crystal structure described by Sr3SiO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form distorted corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   10.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.882
_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  0.500  0.000  0.491  1.0
  Sr  Sr1  1  0.000  0.500  0.009  1.0
  Sr  Sr2  1  0.000  0.500  0.509  1.0
  Sr  Sr3  1  0.500  0.000  0.991  1.0
  Sr  Sr4  1  0.188  0.188  0.250  1.0
  Sr  Sr5  1  0.312  0.688  0.250  1.0
  Sr  Sr6  1  0.688  0.312  0.250  1.0
  Sr  Sr7  1  0.812  0.812  0.250  1.0
  Sr  Sr8  1  0.312  0.312  0.750  1.0
  Sr  Sr9  1  0.188  0.812  0.750  1.0
  Sr  Sr10  1  0.812  0.188  0.750  1.0
  Sr  Sr11  1  0.688  0.688  0.750  1.0
  Si  Si12  1  0.500  0.500  0.500  1.0
  Si  Si13  1  0.000  0.000  0.500  1.0
  Si  Si14  1  0.000  0.000  0.000  1.0
  Si  Si15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.721  1.0
  O  O17  1  0.000  0.500  0.779  1.0
  O  O18  1  0.000  0.500  0.279  1.0
  O  O19  1  0.500  0.000  0.221  1.0
  O  O20  1  0.901  0.158  0.092  1.0
  O  O21  1  0.099  0.842  0.092  1.0
  O  O22  1  0.158  0.901  0.408  1.0
  O  O23  1  0.658  0.599  0.092  1.0
  O  O24  1  0.342  0.401  0.092  1.0
  O  O25  1  0.599  0.658  0.408  1.0
  O  O26  1  0.401  0.342  0.408  1.0
  O  O27  1  0.842  0.099  0.408  1.0
  O  O28  1  0.599  0.342  0.908  1.0
  O  O29  1  0.401  0.658  0.908  1.0
  O  O30  1  0.342  0.599  0.592  1.0
  O  O31  1  0.842  0.901  0.908  1.0
  O  O32  1  0.658  0.401  0.592  1.0
  O  O33  1  0.099  0.158  0.592  1.0
  O  O34  1  0.901  0.842  0.592  1.0
  O  O35  1  0.158  0.099  0.908  1.0
[/CIF]
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