The material described by Cu2MgGeS4 is Stannite structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 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 one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with four equivalent Mg(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 one S(1), one S(3), and two equivalent S(2) atoms to form GeS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. In the second S site, S(2) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. In the third S site, S(3) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_MgCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.464
_cell_length_c   6.526
_cell_angle_alpha   114.705
_cell_angle_beta   114.705
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   157.174
_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
  Mg  Mg0  1  0.016  0.016  0.971  1.0
  Cu  Cu1  1  0.760  0.255  0.471  1.0
  Cu  Cu2  1  0.255  0.760  0.471  1.0
  Ge  Ge3  1  0.512  0.512  0.972  1.0
  S  S4  1  0.876  0.876  0.229  1.0
  S  S5  1  0.612  0.144  0.710  1.0
  S  S6  1  0.411  0.411  0.236  1.0
  S  S7  1  0.144  0.612  0.710  1.0
[/CIF]
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The material described by Cu2MgGeS4 is Stannite structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 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 one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with four equivalent Mg(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 one S(1), one S(3), and two equivalent S(2) atoms to form GeS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. In the second S site, S(2) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. In the third S site, S(3) is bonded to one Mg(1), two equivalent Cu(1), and one Ge(1) atom to form corner-sharing SMgCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_MgCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.464
_cell_length_c   6.526
_cell_angle_alpha   114.705
_cell_angle_beta   114.705
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   157.174
_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
  Mg  Mg0  1  0.016  0.016  0.971  1.0
  Cu  Cu1  1  0.760  0.255  0.471  1.0
  Cu  Cu2  1  0.255  0.760  0.471  1.0
  Ge  Ge3  1  0.512  0.512  0.972  1.0
  S  S4  1  0.876  0.876  0.229  1.0
  S  S5  1  0.612  0.144  0.710  1.0
  S  S6  1  0.411  0.411  0.236  1.0
  S  S7  1  0.144  0.612  0.710  1.0
[/CIF]
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