The crystal structure described by SrTiSi2O7 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), and eight equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTiSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.828
_cell_length_b   7.828
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.559
_symmetry_Int_Tables_number   1
_cell_volume   284.159
_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  0.199  0.801  0.750  1.0
  Sr  Sr1  1  0.801  0.199  0.250  1.0
  Ti  Ti2  1  0.109  0.891  0.250  1.0
  Ti  Ti3  1  0.891  0.109  0.750  1.0
  Si  Si4  1  0.392  0.608  0.475  1.0
  Si  Si5  1  0.392  0.608  0.025  1.0
  Si  Si6  1  0.608  0.392  0.975  1.0
  Si  Si7  1  0.608  0.392  0.525  1.0
  O  O8  1  0.639  0.361  0.750  1.0
  O  O9  1  0.995  0.005  0.250  1.0
  O  O10  1  0.404  0.097  0.062  1.0
  O  O11  1  0.404  0.097  0.438  1.0
  O  O12  1  0.097  0.404  0.938  1.0
  O  O13  1  0.361  0.639  0.250  1.0
  O  O14  1  0.596  0.903  0.938  1.0
  O  O15  1  0.903  0.596  0.062  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.596  0.903  0.562  1.0
  O  O18  1  0.903  0.596  0.438  1.0
  O  O19  1  0.005  0.995  0.750  1.0
  O  O20  1  0.097  0.404  0.562  1.0
  O  O21  1  0.500  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by SrTiSi2O7 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), and eight equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTiSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.828
_cell_length_b   7.828
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.559
_symmetry_Int_Tables_number   1
_cell_volume   284.159
_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  0.199  0.801  0.750  1.0
  Sr  Sr1  1  0.801  0.199  0.250  1.0
  Ti  Ti2  1  0.109  0.891  0.250  1.0
  Ti  Ti3  1  0.891  0.109  0.750  1.0
  Si  Si4  1  0.392  0.608  0.475  1.0
  Si  Si5  1  0.392  0.608  0.025  1.0
  Si  Si6  1  0.608  0.392  0.975  1.0
  Si  Si7  1  0.608  0.392  0.525  1.0
  O  O8  1  0.639  0.361  0.750  1.0
  O  O9  1  0.995  0.005  0.250  1.0
  O  O10  1  0.404  0.097  0.062  1.0
  O  O11  1  0.404  0.097  0.438  1.0
  O  O12  1  0.097  0.404  0.938  1.0
  O  O13  1  0.361  0.639  0.250  1.0
  O  O14  1  0.596  0.903  0.938  1.0
  O  O15  1  0.903  0.596  0.062  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.596  0.903  0.562  1.0
  O  O18  1  0.903  0.596  0.438  1.0
  O  O19  1  0.005  0.995  0.750  1.0
  O  O20  1  0.097  0.404  0.562  1.0
  O  O21  1  0.500  0.500  0.000  1.0
[/CIF]
.