The material described by Cs6Ge2O7 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 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing GeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), three equivalent Cs(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Cs6Ge2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.838
_cell_length_b   7.228
_cell_length_c   12.123
_cell_angle_alpha   54.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.336
_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  0.780  0.610  0.276  1.0
  Cs  Cs1  1  0.646  0.974  0.910  1.0
  Cs  Cs2  1  0.525  0.207  0.544  1.0
  Cs  Cs3  1  0.025  0.793  0.956  1.0
  Cs  Cs4  1  0.280  0.390  0.224  1.0
  Cs  Cs5  1  0.146  0.026  0.590  1.0
  Cs  Cs6  1  0.854  0.974  0.410  1.0
  Cs  Cs7  1  0.720  0.610  0.776  1.0
  Cs  Cs8  1  0.975  0.207  0.044  1.0
  Cs  Cs9  1  0.475  0.793  0.456  1.0
  Cs  Cs10  1  0.354  0.026  0.090  1.0
  Cs  Cs11  1  0.220  0.390  0.724  1.0
  Ge  Ge12  1  0.867  0.330  0.625  1.0
  Ge  Ge13  1  0.367  0.670  0.875  1.0
  Ge  Ge14  1  0.633  0.330  0.125  1.0
  Ge  Ge15  1  0.133  0.670  0.375  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.079  0.732  0.219  1.0
  O  O18  1  0.279  0.495  0.435  1.0
  O  O19  1  0.343  0.915  0.872  1.0
  O  O20  1  0.843  0.085  0.628  1.0
  O  O21  1  0.779  0.505  0.065  1.0
  O  O22  1  0.579  0.268  0.281  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.421  0.732  0.719  1.0
  O  O25  1  0.221  0.495  0.935  1.0
  O  O26  1  0.157  0.915  0.372  1.0
  O  O27  1  0.657  0.085  0.128  1.0
  O  O28  1  0.721  0.505  0.565  1.0
  O  O29  1  0.921  0.268  0.781  1.0
[/CIF]
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The material described by Cs6Ge2O7 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 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing GeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), three equivalent Cs(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Cs6Ge2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.838
_cell_length_b   7.228
_cell_length_c   12.123
_cell_angle_alpha   54.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.336
_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  0.780  0.610  0.276  1.0
  Cs  Cs1  1  0.646  0.974  0.910  1.0
  Cs  Cs2  1  0.525  0.207  0.544  1.0
  Cs  Cs3  1  0.025  0.793  0.956  1.0
  Cs  Cs4  1  0.280  0.390  0.224  1.0
  Cs  Cs5  1  0.146  0.026  0.590  1.0
  Cs  Cs6  1  0.854  0.974  0.410  1.0
  Cs  Cs7  1  0.720  0.610  0.776  1.0
  Cs  Cs8  1  0.975  0.207  0.044  1.0
  Cs  Cs9  1  0.475  0.793  0.456  1.0
  Cs  Cs10  1  0.354  0.026  0.090  1.0
  Cs  Cs11  1  0.220  0.390  0.724  1.0
  Ge  Ge12  1  0.867  0.330  0.625  1.0
  Ge  Ge13  1  0.367  0.670  0.875  1.0
  Ge  Ge14  1  0.633  0.330  0.125  1.0
  Ge  Ge15  1  0.133  0.670  0.375  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.079  0.732  0.219  1.0
  O  O18  1  0.279  0.495  0.435  1.0
  O  O19  1  0.343  0.915  0.872  1.0
  O  O20  1  0.843  0.085  0.628  1.0
  O  O21  1  0.779  0.505  0.065  1.0
  O  O22  1  0.579  0.268  0.281  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.421  0.732  0.719  1.0
  O  O25  1  0.221  0.495  0.935  1.0
  O  O26  1  0.157  0.915  0.372  1.0
  O  O27  1  0.657  0.085  0.128  1.0
  O  O28  1  0.721  0.505  0.565  1.0
  O  O29  1  0.921  0.268  0.781  1.0
[/CIF]
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