The material described by AgGaSnSe4 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 Ga(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Ga(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_GaAgSnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   6.925
_cell_length_c   6.925
_cell_angle_alpha   128.266
_cell_angle_beta   128.266
_cell_angle_gamma   76.194
_symmetry_Int_Tables_number   1
_cell_volume   198.993
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.660  0.626  0.523  1.0
  Se  Se4  1  0.103  0.137  0.477  1.0
  Se  Se5  1  0.374  0.897  0.034  1.0
  Se  Se6  1  0.863  0.340  0.966  1.0
[/CIF]
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The material described by AgGaSnSe4 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 Ga(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Ga(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_GaAgSnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   6.925
_cell_length_c   6.925
_cell_angle_alpha   128.266
_cell_angle_beta   128.266
_cell_angle_gamma   76.194
_symmetry_Int_Tables_number   1
_cell_volume   198.993
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.660  0.626  0.523  1.0
  Se  Se4  1  0.103  0.137  0.477  1.0
  Se  Se5  1  0.374  0.897  0.034  1.0
  Se  Se6  1  0.863  0.340  0.966  1.0
[/CIF]
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