The compound described by CaSn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing GeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Sn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_CaSn(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   5.612
_cell_angle_alpha   80.641
_cell_angle_beta   80.641
_cell_angle_gamma   85.198
_symmetry_Int_Tables_number   1
_cell_volume   296.483
_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  0.688  0.312  0.750  1.0
  Ca  Ca1  1  0.312  0.688  0.250  1.0
  Sn  Sn2  1  0.109  0.891  0.750  1.0
  Sn  Sn3  1  0.891  0.109  0.250  1.0
  Ge  Ge4  1  0.194  0.390  0.767  1.0
  Ge  Ge5  1  0.610  0.806  0.733  1.0
  Ge  Ge6  1  0.806  0.610  0.233  1.0
  Ge  Ge7  1  0.390  0.194  0.267  1.0
  O  O8  1  0.378  0.319  0.525  1.0
  O  O9  1  0.681  0.622  0.975  1.0
  O  O10  1  0.622  0.681  0.475  1.0
  O  O11  1  0.319  0.378  0.025  1.0
  O  O12  1  0.619  0.158  0.138  1.0
  O  O13  1  0.842  0.381  0.362  1.0
  O  O14  1  0.381  0.842  0.862  1.0
  O  O15  1  0.158  0.619  0.638  1.0
  O  O16  1  0.997  0.268  0.843  1.0
  O  O17  1  0.732  0.003  0.657  1.0
  O  O18  1  0.003  0.732  0.157  1.0
  O  O19  1  0.268  0.997  0.343  1.0
[/CIF]
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The compound described by CaSn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Sn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing GeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Sn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_CaSn(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   5.612
_cell_angle_alpha   80.641
_cell_angle_beta   80.641
_cell_angle_gamma   85.198
_symmetry_Int_Tables_number   1
_cell_volume   296.483
_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  0.688  0.312  0.750  1.0
  Ca  Ca1  1  0.312  0.688  0.250  1.0
  Sn  Sn2  1  0.109  0.891  0.750  1.0
  Sn  Sn3  1  0.891  0.109  0.250  1.0
  Ge  Ge4  1  0.194  0.390  0.767  1.0
  Ge  Ge5  1  0.610  0.806  0.733  1.0
  Ge  Ge6  1  0.806  0.610  0.233  1.0
  Ge  Ge7  1  0.390  0.194  0.267  1.0
  O  O8  1  0.378  0.319  0.525  1.0
  O  O9  1  0.681  0.622  0.975  1.0
  O  O10  1  0.622  0.681  0.475  1.0
  O  O11  1  0.319  0.378  0.025  1.0
  O  O12  1  0.619  0.158  0.138  1.0
  O  O13  1  0.842  0.381  0.362  1.0
  O  O14  1  0.381  0.842  0.862  1.0
  O  O15  1  0.158  0.619  0.638  1.0
  O  O16  1  0.997  0.268  0.843  1.0
  O  O17  1  0.732  0.003  0.657  1.0
  O  O18  1  0.003  0.732  0.157  1.0
  O  O19  1  0.268  0.997  0.343  1.0
[/CIF]
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