The compound described by Cu2FeGeS4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. S(1) is bonded to one Fe(1), one Cu(1), one Cu(2), and one Ge(1) atom to form corner-sharing SFeCu2Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.494
_cell_angle_alpha   131.708
_cell_angle_beta   131.708
_cell_angle_gamma   70.691
_symmetry_Int_Tables_number   1
_cell_volume   149.503
_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
  Fe  Fe0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.124  0.126  0.502  1.0
  S  S5  1  0.624  0.622  0.498  1.0
  S  S6  1  0.378  0.876  0.003  1.0
  S  S7  1  0.874  0.376  0.997  1.0
[/CIF]
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The compound described by Cu2FeGeS4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. S(1) is bonded to one Fe(1), one Cu(1), one Cu(2), and one Ge(1) atom to form corner-sharing SFeCu2Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.494
_cell_angle_alpha   131.708
_cell_angle_beta   131.708
_cell_angle_gamma   70.691
_symmetry_Int_Tables_number   1
_cell_volume   149.503
_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
  Fe  Fe0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.124  0.126  0.502  1.0
  S  S5  1  0.624  0.622  0.498  1.0
  S  S6  1  0.378  0.876  0.003  1.0
  S  S7  1  0.874  0.376  0.997  1.0
[/CIF]
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