The material structure described by (Ca4Si6O19)2(O2)3 crystallizes in the monoclinic Cm space group. The structure consists of two 7782-44-7 molecules and two water atoms inside a Ca4Si6O19 framework. In the Ca4Si6O19 framework, there are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(7), one O(9), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(10), and two equivalent O(9) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(3) atom. In the third O site, O(10) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the sixth O site, O(3) is bonded to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the seventh O site, O(4) is bonded to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the ninth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one Si(2) atom. In the tenth O site, O(7) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the CIF file [CIF]
data_Ca2Si3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.853
_cell_length_b   11.853
_cell_length_c   6.788
_cell_angle_alpha   83.846
_cell_angle_beta   83.846
_cell_angle_gamma   147.089
_symmetry_Int_Tables_number   1
_cell_volume   479.633
_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
  Ca  Ca0  1  0.047  0.630  0.437  1.0
  Ca  Ca1  1  0.630  0.047  0.437  1.0
  Ca  Ca2  1  0.132  0.534  0.927  1.0
  Ca  Ca3  1  0.534  0.132  0.927  1.0
  Si  Si4  1  0.534  0.222  0.391  1.0
  Si  Si5  1  0.222  0.534  0.391  1.0
  Si  Si6  1  0.232  0.093  0.752  1.0
  Si  Si7  1  0.093  0.232  0.752  1.0
  Si  Si8  1  0.956  0.640  0.975  1.0
  Si  Si9  1  0.640  0.956  0.975  1.0
  O  O10  1  0.361  0.170  0.509  1.0
  O  O11  1  0.170  0.361  0.509  1.0
  O  O12  1  0.726  0.457  0.185  1.0
  O  O13  1  0.457  0.726  0.185  1.0
  O  O14  1  0.652  0.254  0.543  1.0
  O  O15  1  0.254  0.652  0.543  1.0
  O  O16  1  0.414  0.025  0.308  1.0
  O  O17  1  0.025  0.414  0.308  1.0
  O  O18  1  0.132  0.132  0.734  1.0
  O  O19  1  0.399  0.222  0.886  1.0
  O  O20  1  0.222  0.399  0.886  1.0
  O  O21  1  0.917  0.720  0.425  1.0
  O  O22  1  0.720  0.917  0.425  1.0
  O  O23  1  0.020  0.824  0.863  1.0
  O  O24  1  0.824  0.020  0.863  1.0
  O  O25  1  0.910  0.518  0.818  1.0
  O  O26  1  0.518  0.910  0.818  1.0
  O  O27  1  0.149  0.748  0.053  1.0
  O  O28  1  0.748  0.149  0.053  1.0
  O  O29  1  0.323  0.323  0.209  1.0
  O  O30  1  0.507  0.507  0.199  1.0
  O  O31  1  0.506  0.506  0.788  1.0
[/CIF]
.
The material structure described by (Ca4Si6O19)2(O2)3 crystallizes in the monoclinic Cm space group. The structure consists of two 7782-44-7 molecules and two water atoms inside a Ca4Si6O19 framework. In the Ca4Si6O19 framework, there are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(7), one O(9), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(10), and two equivalent O(9) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(3) atom. In the third O site, O(10) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the sixth O site, O(3) is bonded to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the seventh O site, O(4) is bonded to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the ninth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one Si(2) atom. In the tenth O site, O(7) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the CIF file [CIF]
data_Ca2Si3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.853
_cell_length_b   11.853
_cell_length_c   6.788
_cell_angle_alpha   83.846
_cell_angle_beta   83.846
_cell_angle_gamma   147.089
_symmetry_Int_Tables_number   1
_cell_volume   479.633
_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
  Ca  Ca0  1  0.047  0.630  0.437  1.0
  Ca  Ca1  1  0.630  0.047  0.437  1.0
  Ca  Ca2  1  0.132  0.534  0.927  1.0
  Ca  Ca3  1  0.534  0.132  0.927  1.0
  Si  Si4  1  0.534  0.222  0.391  1.0
  Si  Si5  1  0.222  0.534  0.391  1.0
  Si  Si6  1  0.232  0.093  0.752  1.0
  Si  Si7  1  0.093  0.232  0.752  1.0
  Si  Si8  1  0.956  0.640  0.975  1.0
  Si  Si9  1  0.640  0.956  0.975  1.0
  O  O10  1  0.361  0.170  0.509  1.0
  O  O11  1  0.170  0.361  0.509  1.0
  O  O12  1  0.726  0.457  0.185  1.0
  O  O13  1  0.457  0.726  0.185  1.0
  O  O14  1  0.652  0.254  0.543  1.0
  O  O15  1  0.254  0.652  0.543  1.0
  O  O16  1  0.414  0.025  0.308  1.0
  O  O17  1  0.025  0.414  0.308  1.0
  O  O18  1  0.132  0.132  0.734  1.0
  O  O19  1  0.399  0.222  0.886  1.0
  O  O20  1  0.222  0.399  0.886  1.0
  O  O21  1  0.917  0.720  0.425  1.0
  O  O22  1  0.720  0.917  0.425  1.0
  O  O23  1  0.020  0.824  0.863  1.0
  O  O24  1  0.824  0.020  0.863  1.0
  O  O25  1  0.910  0.518  0.818  1.0
  O  O26  1  0.518  0.910  0.818  1.0
  O  O27  1  0.149  0.748  0.053  1.0
  O  O28  1  0.748  0.149  0.053  1.0
  O  O29  1  0.323  0.323  0.209  1.0
  O  O30  1  0.507  0.507  0.199  1.0
  O  O31  1  0.506  0.506  0.788  1.0
[/CIF]
.