The structure described by SrCu2GeSe4 crystallizes in the orthorhombic Ama2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom to form distorted corner-sharing SeSr2Cu2Ge trigonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_SrCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   6.354
_cell_length_c   10.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.212
_symmetry_Int_Tables_number   1
_cell_volume   391.013
_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
  Sr  Sr0  1  0.013  0.013  0.500  1.0
  Sr  Sr1  1  0.013  0.013  0.000  1.0
  Cu  Cu2  1  0.632  0.191  0.630  1.0
  Cu  Cu3  1  0.191  0.632  0.370  1.0
  Cu  Cu4  1  0.191  0.632  0.130  1.0
  Cu  Cu5  1  0.632  0.191  0.870  1.0
  Ge  Ge6  1  0.264  0.559  0.750  1.0
  Ge  Ge7  1  0.559  0.264  0.250  1.0
  Se  Se8  1  0.302  0.197  0.750  1.0
  Se  Se9  1  0.197  0.302  0.250  1.0
  Se  Se10  1  0.011  0.521  0.576  1.0
  Se  Se11  1  0.521  0.011  0.424  1.0
  Se  Se12  1  0.011  0.521  0.924  1.0
  Se  Se13  1  0.521  0.011  0.076  1.0
  Se  Se14  1  0.874  0.664  0.250  1.0
  Se  Se15  1  0.664  0.874  0.750  1.0
[/CIF]
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The structure described by SrCu2GeSe4 crystallizes in the orthorhombic Ama2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom to form distorted corner-sharing SeSr2Cu2Ge trigonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_SrCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   6.354
_cell_length_c   10.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.212
_symmetry_Int_Tables_number   1
_cell_volume   391.013
_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
  Sr  Sr0  1  0.013  0.013  0.500  1.0
  Sr  Sr1  1  0.013  0.013  0.000  1.0
  Cu  Cu2  1  0.632  0.191  0.630  1.0
  Cu  Cu3  1  0.191  0.632  0.370  1.0
  Cu  Cu4  1  0.191  0.632  0.130  1.0
  Cu  Cu5  1  0.632  0.191  0.870  1.0
  Ge  Ge6  1  0.264  0.559  0.750  1.0
  Ge  Ge7  1  0.559  0.264  0.250  1.0
  Se  Se8  1  0.302  0.197  0.750  1.0
  Se  Se9  1  0.197  0.302  0.250  1.0
  Se  Se10  1  0.011  0.521  0.576  1.0
  Se  Se11  1  0.521  0.011  0.424  1.0
  Se  Se12  1  0.011  0.521  0.924  1.0
  Se  Se13  1  0.521  0.011  0.076  1.0
  Se  Se14  1  0.874  0.664  0.250  1.0
  Se  Se15  1  0.664  0.874  0.750  1.0
[/CIF]
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