The structure described by Sr3TiSi4H2O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one H(1), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one H(1), one H(2), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one H(2), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Ti(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Sr(2) atom. In the second H site, H(2) is bonded in an L-shaped geometry to one Sr(2) and one Sr(3) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Ti(1) atoms. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Si(1) atoms. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one Si(1) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one Si(2) atom. In the fifth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(2) and two equivalent Si(2) atoms. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Si(2) atom. In the seventh O site, O(2) is bonded in a 3-coordinate geometry to one Sr(3), one Si(1), and one Si(2) atom. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ti(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Sr3TiSi4H2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.729
_cell_length_b   7.779
_cell_length_c   11.160
_cell_angle_alpha   77.035
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.888
_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  0.250  0.656  0.111  1.0
  Sr  Sr1  1  0.750  0.344  0.889  1.0
  Sr  Sr2  1  0.250  0.390  0.734  1.0
  Sr  Sr3  1  0.750  0.610  0.266  1.0
  Sr  Sr4  1  0.250  0.278  0.413  1.0
  Sr  Sr5  1  0.750  0.722  0.587  1.0
  Ti  Ti6  1  0.500  0.000  0.000  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  Si  Si8  1  0.455  0.873  0.304  1.0
  Si  Si9  1  0.545  0.127  0.696  1.0
  Si  Si10  1  0.955  0.127  0.696  1.0
  Si  Si11  1  0.045  0.873  0.304  1.0
  Si  Si12  1  0.457  0.742  0.798  1.0
  Si  Si13  1  0.543  0.258  0.202  1.0
  Si  Si14  1  0.957  0.258  0.202  1.0
  Si  Si15  1  0.043  0.742  0.798  1.0
  H  H16  1  0.250  0.392  0.981  1.0
  H  H17  1  0.750  0.608  0.019  1.0
  H  H18  1  0.250  0.592  0.500  1.0
  H  H19  1  0.750  0.408  0.500  1.0
  O  O20  1  0.455  0.433  0.231  1.0
  O  O21  1  0.545  0.567  0.769  1.0
  O  O22  1  0.955  0.567  0.769  1.0
  O  O23  1  0.045  0.433  0.231  1.0
  O  O24  1  0.958  0.912  0.695  1.0
  O  O25  1  0.042  0.088  0.305  1.0
  O  O26  1  0.458  0.088  0.305  1.0
  O  O27  1  0.542  0.912  0.695  1.0
  O  O28  1  0.974  0.848  0.170  1.0
  O  O29  1  0.026  0.152  0.830  1.0
  O  O30  1  0.474  0.152  0.830  1.0
  O  O31  1  0.526  0.848  0.170  1.0
  O  O32  1  0.250  0.994  0.024  1.0
  O  O33  1  0.750  0.006  0.976  1.0
  O  O34  1  0.250  0.810  0.311  1.0
  O  O35  1  0.750  0.190  0.689  1.0
  O  O36  1  0.938  0.748  0.411  1.0
  O  O37  1  0.062  0.252  0.589  1.0
  O  O38  1  0.438  0.252  0.589  1.0
  O  O39  1  0.562  0.748  0.411  1.0
  O  O40  1  0.975  0.226  0.063  1.0
  O  O41  1  0.025  0.774  0.937  1.0
  O  O42  1  0.475  0.774  0.937  1.0
  O  O43  1  0.525  0.226  0.063  1.0
  O  O44  1  0.250  0.726  0.762  1.0
  O  O45  1  0.750  0.274  0.238  1.0
[/CIF]
.
The structure described by Sr3TiSi4H2O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one H(1), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one H(1), one H(2), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one H(2), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Ti(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Sr(2) atom. In the second H site, H(2) is bonded in an L-shaped geometry to one Sr(2) and one Sr(3) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Ti(1) atoms. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Si(1) atoms. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one Si(1) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one Si(2) atom. In the fifth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(2) and two equivalent Si(2) atoms. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Si(2) atom. In the seventh O site, O(2) is bonded in a 3-coordinate geometry to one Sr(3), one Si(1), and one Si(2) atom. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ti(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Sr3TiSi4H2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.729
_cell_length_b   7.779
_cell_length_c   11.160
_cell_angle_alpha   77.035
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.888
_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  0.250  0.656  0.111  1.0
  Sr  Sr1  1  0.750  0.344  0.889  1.0
  Sr  Sr2  1  0.250  0.390  0.734  1.0
  Sr  Sr3  1  0.750  0.610  0.266  1.0
  Sr  Sr4  1  0.250  0.278  0.413  1.0
  Sr  Sr5  1  0.750  0.722  0.587  1.0
  Ti  Ti6  1  0.500  0.000  0.000  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  Si  Si8  1  0.455  0.873  0.304  1.0
  Si  Si9  1  0.545  0.127  0.696  1.0
  Si  Si10  1  0.955  0.127  0.696  1.0
  Si  Si11  1  0.045  0.873  0.304  1.0
  Si  Si12  1  0.457  0.742  0.798  1.0
  Si  Si13  1  0.543  0.258  0.202  1.0
  Si  Si14  1  0.957  0.258  0.202  1.0
  Si  Si15  1  0.043  0.742  0.798  1.0
  H  H16  1  0.250  0.392  0.981  1.0
  H  H17  1  0.750  0.608  0.019  1.0
  H  H18  1  0.250  0.592  0.500  1.0
  H  H19  1  0.750  0.408  0.500  1.0
  O  O20  1  0.455  0.433  0.231  1.0
  O  O21  1  0.545  0.567  0.769  1.0
  O  O22  1  0.955  0.567  0.769  1.0
  O  O23  1  0.045  0.433  0.231  1.0
  O  O24  1  0.958  0.912  0.695  1.0
  O  O25  1  0.042  0.088  0.305  1.0
  O  O26  1  0.458  0.088  0.305  1.0
  O  O27  1  0.542  0.912  0.695  1.0
  O  O28  1  0.974  0.848  0.170  1.0
  O  O29  1  0.026  0.152  0.830  1.0
  O  O30  1  0.474  0.152  0.830  1.0
  O  O31  1  0.526  0.848  0.170  1.0
  O  O32  1  0.250  0.994  0.024  1.0
  O  O33  1  0.750  0.006  0.976  1.0
  O  O34  1  0.250  0.810  0.311  1.0
  O  O35  1  0.750  0.190  0.689  1.0
  O  O36  1  0.938  0.748  0.411  1.0
  O  O37  1  0.062  0.252  0.589  1.0
  O  O38  1  0.438  0.252  0.589  1.0
  O  O39  1  0.562  0.748  0.411  1.0
  O  O40  1  0.975  0.226  0.063  1.0
  O  O41  1  0.025  0.774  0.937  1.0
  O  O42  1  0.475  0.774  0.937  1.0
  O  O43  1  0.525  0.226  0.063  1.0
  O  O44  1  0.250  0.726  0.762  1.0
  O  O45  1  0.750  0.274  0.238  1.0
[/CIF]
.