The material described by AgInGeSe4 crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one In(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_InAgGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.952
_cell_length_b   6.952
_cell_length_c   6.952
_cell_angle_alpha   129.912
_cell_angle_beta   129.912
_cell_angle_gamma   73.548
_symmetry_Int_Tables_number   1
_cell_volume   192.922
_cell_formula_units_Z   1
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
  In  In0  1  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.086  0.127  0.451  1.0
  Se  Se4  1  0.676  0.636  0.549  1.0
  Se  Se5  1  0.364  0.914  0.040  1.0
  Se  Se6  1  0.873  0.324  0.960  1.0
[/CIF]
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The material described by AgInGeSe4 crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one In(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_InAgGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.952
_cell_length_b   6.952
_cell_length_c   6.952
_cell_angle_alpha   129.912
_cell_angle_beta   129.912
_cell_angle_gamma   73.548
_symmetry_Int_Tables_number   1
_cell_volume   192.922
_cell_formula_units_Z   1
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
  In  In0  1  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.086  0.127  0.451  1.0
  Se  Se4  1  0.676  0.636  0.549  1.0
  Se  Se5  1  0.364  0.914  0.040  1.0
  Se  Se6  1  0.873  0.324  0.960  1.0
[/CIF]
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