The crystal structure described by Cu2FeGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Ge(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. 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(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 and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to one Fe(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SFeCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_FeCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   131.131
_cell_angle_beta   131.131
_cell_angle_gamma   71.606
_symmetry_Int_Tables_number   1
_cell_volume   149.169
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.376  0.876  0.000  1.0
  S  S5  1  0.876  0.376  0.000  1.0
  S  S6  1  0.624  0.624  0.500  1.0
  S  S7  1  0.124  0.124  0.500  1.0
[/CIF]
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The crystal structure described by Cu2FeGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Ge(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. 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(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 and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to one Fe(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SFeCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_FeCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   131.131
_cell_angle_beta   131.131
_cell_angle_gamma   71.606
_symmetry_Int_Tables_number   1
_cell_volume   149.169
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.376  0.876  0.000  1.0
  S  S5  1  0.876  0.376  0.000  1.0
  S  S6  1  0.624  0.624  0.500  1.0
  S  S7  1  0.124  0.124  0.500  1.0
[/CIF]
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