The crystal structure described by MgCu2ZnSnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Zn(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cu(1), one Zn(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZnCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   5.805
_cell_length_c   6.645
_cell_angle_alpha   115.898
_cell_angle_beta   118.600
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.918
_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  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.732  0.232  0.465  1.0
  Cu  Cu3  1  0.268  0.768  0.535  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  S  S5  1  0.938  0.911  0.286  1.0
  S  S6  1  0.348  0.375  0.286  1.0
  S  S7  1  0.062  0.625  0.714  1.0
  S  S8  1  0.652  0.089  0.714  1.0
[/CIF]
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The crystal structure described by MgCu2ZnSnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Zn(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cu(1), one Zn(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZnCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   5.805
_cell_length_c   6.645
_cell_angle_alpha   115.898
_cell_angle_beta   118.600
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.918
_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  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.732  0.232  0.465  1.0
  Cu  Cu3  1  0.268  0.768  0.535  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  S  S5  1  0.938  0.911  0.286  1.0
  S  S6  1  0.348  0.375  0.286  1.0
  S  S7  1  0.062  0.625  0.714  1.0
  S  S8  1  0.652  0.089  0.714  1.0
[/CIF]
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