The structure described by MnZnSe4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form MnSe6 octahedra that share corners with four equivalent Mn(1)Se6 octahedra, corners with eight equivalent Zn(1)Se6 octahedra, corners with two equivalent Se(1)MnZn2Se tetrahedra, and corners with four equivalent Se(2)Mn2ZnSe tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. Zn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form ZnSe6 octahedra that share corners with four equivalent Zn(1)Se6 octahedra, corners with eight equivalent Mn(1)Se6 octahedra, corners with two equivalent Se(2)Mn2ZnSe tetrahedra, and corners with four equivalent Se(1)MnZn2Se tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), two equivalent Zn(1), and one Se(1) atom to form distorted SeMnZn2Se tetrahedra that share  a cornercorner with one Mn(1)Se6 octahedra, corners with two equivalent Zn(1)Se6 octahedra, corners with seven equivalent Se(1)MnZn2Se tetrahedra, and corners with eight equivalent Se(2)Mn2ZnSe tetrahedra. The corner-sharing octahedral tilt angles are 76°. In the second Se site, Se(2) is bonded to two equivalent Mn(1), one Zn(1), and one Se(2) atom to form distorted SeMn2ZnSe tetrahedra that share  a cornercorner with one Zn(1)Se6 octahedra, corners with two equivalent Mn(1)Se6 octahedra, corners with seven equivalent Se(2)Mn2ZnSe tetrahedra, and corners with eight equivalent Se(1)MnZn2Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. is represented by the CIF file [CIF]
data_MnZnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.387
_cell_length_b   6.391
_cell_length_c   6.391
_cell_angle_alpha   89.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.908
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.891  0.609  0.891  1.0
  Se  Se5  1  0.391  0.891  0.109  1.0
  Se  Se6  1  0.110  0.109  0.609  1.0
  Se  Se7  1  0.610  0.391  0.391  1.0
  Se  Se8  1  0.109  0.391  0.109  1.0
  Se  Se9  1  0.609  0.109  0.891  1.0
  Se  Se10  1  0.890  0.891  0.391  1.0
  Se  Se11  1  0.390  0.609  0.609  1.0
[/CIF]
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The structure described by MnZnSe4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form MnSe6 octahedra that share corners with four equivalent Mn(1)Se6 octahedra, corners with eight equivalent Zn(1)Se6 octahedra, corners with two equivalent Se(1)MnZn2Se tetrahedra, and corners with four equivalent Se(2)Mn2ZnSe tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. Zn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form ZnSe6 octahedra that share corners with four equivalent Zn(1)Se6 octahedra, corners with eight equivalent Mn(1)Se6 octahedra, corners with two equivalent Se(2)Mn2ZnSe tetrahedra, and corners with four equivalent Se(1)MnZn2Se tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), two equivalent Zn(1), and one Se(1) atom to form distorted SeMnZn2Se tetrahedra that share  a cornercorner with one Mn(1)Se6 octahedra, corners with two equivalent Zn(1)Se6 octahedra, corners with seven equivalent Se(1)MnZn2Se tetrahedra, and corners with eight equivalent Se(2)Mn2ZnSe tetrahedra. The corner-sharing octahedral tilt angles are 76°. In the second Se site, Se(2) is bonded to two equivalent Mn(1), one Zn(1), and one Se(2) atom to form distorted SeMn2ZnSe tetrahedra that share  a cornercorner with one Zn(1)Se6 octahedra, corners with two equivalent Mn(1)Se6 octahedra, corners with seven equivalent Se(2)Mn2ZnSe tetrahedra, and corners with eight equivalent Se(1)MnZn2Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. is represented by the CIF file [CIF]
data_MnZnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.387
_cell_length_b   6.391
_cell_length_c   6.391
_cell_angle_alpha   89.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.908
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.891  0.609  0.891  1.0
  Se  Se5  1  0.391  0.891  0.109  1.0
  Se  Se6  1  0.110  0.109  0.609  1.0
  Se  Se7  1  0.610  0.391  0.391  1.0
  Se  Se8  1  0.109  0.391  0.109  1.0
  Se  Se9  1  0.609  0.109  0.891  1.0
  Se  Se10  1  0.890  0.891  0.391  1.0
  Se  Se11  1  0.390  0.609  0.609  1.0
[/CIF]
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