The compound described by Sr2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Ge(1), one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Sr(2), one Ge(2), one Se(3), one Se(4), and one Se(5) atom. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one Se(2), and two equivalent Se(1) atoms. There are five inequivalent Se sites. In the first Se site, Se(5) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom. In the second Se site, Se(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Ge(2) atoms. In the third Se site, Se(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Ge(2) atom to form distorted corner-sharing SeSr4Ge trigonal bipyramids. In the fourth Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Ge(1) atom. In the fifth Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Sr2Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.393
_cell_length_b   8.525
_cell_length_c   12.203
_cell_angle_alpha   49.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   978.714
_cell_formula_units_Z   4
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  0.198  0.537  0.523  1.0
  Sr  Sr1  1  0.698  0.463  0.977  1.0
  Sr  Sr2  1  0.802  0.463  0.477  1.0
  Sr  Sr3  1  0.302  0.537  0.023  1.0
  Sr  Sr4  1  0.338  0.013  0.533  1.0
  Sr  Sr5  1  0.838  0.987  0.967  1.0
  Sr  Sr6  1  0.662  0.987  0.467  1.0
  Sr  Sr7  1  0.162  0.013  0.033  1.0
  Ge  Ge8  1  0.981  0.514  0.189  1.0
  Ge  Ge9  1  0.019  0.486  0.811  1.0
  Ge  Ge10  1  0.519  0.514  0.689  1.0
  Ge  Ge11  1  0.481  0.486  0.311  1.0
  Ge  Ge12  1  0.449  0.159  0.838  1.0
  Ge  Ge13  1  0.949  0.841  0.662  1.0
  Ge  Ge14  1  0.551  0.841  0.162  1.0
  Ge  Ge15  1  0.051  0.159  0.338  1.0
  Se  Se16  1  0.411  0.096  0.060  1.0
  Se  Se17  1  0.911  0.904  0.440  1.0
  Se  Se18  1  0.589  0.904  0.940  1.0
  Se  Se19  1  0.089  0.096  0.560  1.0
  Se  Se20  1  0.204  0.064  0.281  1.0
  Se  Se21  1  0.296  0.064  0.781  1.0
  Se  Se22  1  0.704  0.936  0.219  1.0
  Se  Se23  1  0.796  0.936  0.719  1.0
  Se  Se24  1  0.442  0.745  0.461  1.0
  Se  Se25  1  0.942  0.255  0.039  1.0
  Se  Se26  1  0.558  0.255  0.539  1.0
  Se  Se27  1  0.058  0.745  0.961  1.0
  Se  Se28  1  0.509  0.326  0.212  1.0
  Se  Se29  1  0.009  0.674  0.288  1.0
  Se  Se30  1  0.491  0.674  0.788  1.0
  Se  Se31  1  0.991  0.326  0.712  1.0
  Se  Se32  1  0.210  0.519  0.795  1.0
  Se  Se33  1  0.710  0.481  0.705  1.0
  Se  Se34  1  0.790  0.481  0.205  1.0
  Se  Se35  1  0.290  0.519  0.295  1.0
[/CIF]
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The compound described by Sr2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Ge(1), one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Sr(2), one Ge(2), one Se(3), one Se(4), and one Se(5) atom. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one Se(2), and two equivalent Se(1) atoms. There are five inequivalent Se sites. In the first Se site, Se(5) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom. In the second Se site, Se(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Ge(2) atoms. In the third Se site, Se(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Ge(2) atom to form distorted corner-sharing SeSr4Ge trigonal bipyramids. In the fourth Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Ge(1) atom. In the fifth Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Sr2Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.393
_cell_length_b   8.525
_cell_length_c   12.203
_cell_angle_alpha   49.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   978.714
_cell_formula_units_Z   4
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  0.198  0.537  0.523  1.0
  Sr  Sr1  1  0.698  0.463  0.977  1.0
  Sr  Sr2  1  0.802  0.463  0.477  1.0
  Sr  Sr3  1  0.302  0.537  0.023  1.0
  Sr  Sr4  1  0.338  0.013  0.533  1.0
  Sr  Sr5  1  0.838  0.987  0.967  1.0
  Sr  Sr6  1  0.662  0.987  0.467  1.0
  Sr  Sr7  1  0.162  0.013  0.033  1.0
  Ge  Ge8  1  0.981  0.514  0.189  1.0
  Ge  Ge9  1  0.019  0.486  0.811  1.0
  Ge  Ge10  1  0.519  0.514  0.689  1.0
  Ge  Ge11  1  0.481  0.486  0.311  1.0
  Ge  Ge12  1  0.449  0.159  0.838  1.0
  Ge  Ge13  1  0.949  0.841  0.662  1.0
  Ge  Ge14  1  0.551  0.841  0.162  1.0
  Ge  Ge15  1  0.051  0.159  0.338  1.0
  Se  Se16  1  0.411  0.096  0.060  1.0
  Se  Se17  1  0.911  0.904  0.440  1.0
  Se  Se18  1  0.589  0.904  0.940  1.0
  Se  Se19  1  0.089  0.096  0.560  1.0
  Se  Se20  1  0.204  0.064  0.281  1.0
  Se  Se21  1  0.296  0.064  0.781  1.0
  Se  Se22  1  0.704  0.936  0.219  1.0
  Se  Se23  1  0.796  0.936  0.719  1.0
  Se  Se24  1  0.442  0.745  0.461  1.0
  Se  Se25  1  0.942  0.255  0.039  1.0
  Se  Se26  1  0.558  0.255  0.539  1.0
  Se  Se27  1  0.058  0.745  0.961  1.0
  Se  Se28  1  0.509  0.326  0.212  1.0
  Se  Se29  1  0.009  0.674  0.288  1.0
  Se  Se30  1  0.491  0.674  0.788  1.0
  Se  Se31  1  0.991  0.326  0.712  1.0
  Se  Se32  1  0.210  0.519  0.795  1.0
  Se  Se33  1  0.710  0.481  0.705  1.0
  Se  Se34  1  0.790  0.481  0.205  1.0
  Se  Se35  1  0.290  0.519  0.295  1.0
[/CIF]
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