The crystal structure described by Cs6Si2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(3), and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), three equivalent Cs(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.575
_cell_length_b   7.164
_cell_length_c   11.993
_cell_angle_alpha   53.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.105
_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
  Cs  Cs0  1  0.354  0.513  0.598  1.0
  Cs  Cs1  1  0.146  0.513  0.098  1.0
  Cs  Cs2  1  0.646  0.487  0.402  1.0
  Cs  Cs3  1  0.975  0.706  0.545  1.0
  Cs  Cs4  1  0.475  0.294  0.955  1.0
  Cs  Cs5  1  0.025  0.294  0.455  1.0
  Cs  Cs6  1  0.525  0.706  0.045  1.0
  Cs  Cs7  1  0.273  0.883  0.729  1.0
  Cs  Cs8  1  0.773  0.117  0.771  1.0
  Cs  Cs9  1  0.727  0.117  0.271  1.0
  Cs  Cs10  1  0.227  0.883  0.229  1.0
  Cs  Cs11  1  0.854  0.487  0.902  1.0
  Si  Si12  1  0.628  0.842  0.618  1.0
  Si  Si13  1  0.872  0.842  0.118  1.0
  Si  Si14  1  0.372  0.158  0.382  1.0
  Si  Si15  1  0.128  0.158  0.882  1.0
  O  O16  1  0.268  0.996  0.938  1.0
  O  O17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.924  0.780  0.266  1.0
  O  O20  1  0.768  0.004  0.562  1.0
  O  O21  1  0.732  0.004  0.062  1.0
  O  O22  1  0.232  0.996  0.438  1.0
  O  O23  1  0.653  0.609  0.625  1.0
  O  O24  1  0.153  0.391  0.875  1.0
  O  O25  1  0.347  0.391  0.375  1.0
  O  O26  1  0.847  0.609  0.125  1.0
  O  O27  1  0.576  0.780  0.766  1.0
  O  O28  1  0.076  0.220  0.734  1.0
  O  O29  1  0.424  0.220  0.234  1.0
[/CIF]
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The crystal structure described by Cs6Si2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(3), and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), three equivalent Cs(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.575
_cell_length_b   7.164
_cell_length_c   11.993
_cell_angle_alpha   53.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.105
_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
  Cs  Cs0  1  0.354  0.513  0.598  1.0
  Cs  Cs1  1  0.146  0.513  0.098  1.0
  Cs  Cs2  1  0.646  0.487  0.402  1.0
  Cs  Cs3  1  0.975  0.706  0.545  1.0
  Cs  Cs4  1  0.475  0.294  0.955  1.0
  Cs  Cs5  1  0.025  0.294  0.455  1.0
  Cs  Cs6  1  0.525  0.706  0.045  1.0
  Cs  Cs7  1  0.273  0.883  0.729  1.0
  Cs  Cs8  1  0.773  0.117  0.771  1.0
  Cs  Cs9  1  0.727  0.117  0.271  1.0
  Cs  Cs10  1  0.227  0.883  0.229  1.0
  Cs  Cs11  1  0.854  0.487  0.902  1.0
  Si  Si12  1  0.628  0.842  0.618  1.0
  Si  Si13  1  0.872  0.842  0.118  1.0
  Si  Si14  1  0.372  0.158  0.382  1.0
  Si  Si15  1  0.128  0.158  0.882  1.0
  O  O16  1  0.268  0.996  0.938  1.0
  O  O17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.924  0.780  0.266  1.0
  O  O20  1  0.768  0.004  0.562  1.0
  O  O21  1  0.732  0.004  0.062  1.0
  O  O22  1  0.232  0.996  0.438  1.0
  O  O23  1  0.653  0.609  0.625  1.0
  O  O24  1  0.153  0.391  0.875  1.0
  O  O25  1  0.347  0.391  0.375  1.0
  O  O26  1  0.847  0.609  0.125  1.0
  O  O27  1  0.576  0.780  0.766  1.0
  O  O28  1  0.076  0.220  0.734  1.0
  O  O29  1  0.424  0.220  0.234  1.0
[/CIF]
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