The crystal structure described by Mn2ZnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent Se(1) atoms to form MnSe6 octahedra that share corners with six equivalent Zn(1)Se4 tetrahedra and edges with six equivalent Mn(1)Se6 octahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. Se(1) is bonded to three equivalent Mn(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SeMn3Zn trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2ZnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.540
_cell_length_b   7.540
_cell_length_c   7.540
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   303.117
_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  0.125  0.625  0.625  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.625  0.625  0.125  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  Zn  Zn4  1  0.250  0.250  0.250  1.0
  Zn  Zn5  1  1.000  0.000  0.000  1.0
  Se  Se6  1  0.852  0.383  0.383  1.0
  Se  Se7  1  0.383  0.852  0.383  1.0
  Se  Se8  1  0.383  0.383  0.852  1.0
  Se  Se9  1  0.383  0.383  0.383  1.0
  Se  Se10  1  0.398  0.867  0.867  1.0
  Se  Se11  1  0.867  0.398  0.867  1.0
  Se  Se12  1  0.867  0.867  0.398  1.0
  Se  Se13  1  0.867  0.867  0.867  1.0
[/CIF]
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The crystal structure described by Mn2ZnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent Se(1) atoms to form MnSe6 octahedra that share corners with six equivalent Zn(1)Se4 tetrahedra and edges with six equivalent Mn(1)Se6 octahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. Se(1) is bonded to three equivalent Mn(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SeMn3Zn trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2ZnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.540
_cell_length_b   7.540
_cell_length_c   7.540
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   303.117
_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  0.125  0.625  0.625  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.625  0.625  0.125  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  Zn  Zn4  1  0.250  0.250  0.250  1.0
  Zn  Zn5  1  1.000  0.000  0.000  1.0
  Se  Se6  1  0.852  0.383  0.383  1.0
  Se  Se7  1  0.383  0.852  0.383  1.0
  Se  Se8  1  0.383  0.383  0.852  1.0
  Se  Se9  1  0.383  0.383  0.383  1.0
  Se  Se10  1  0.398  0.867  0.867  1.0
  Se  Se11  1  0.867  0.398  0.867  1.0
  Se  Se12  1  0.867  0.867  0.398  1.0
  Se  Se13  1  0.867  0.867  0.867  1.0
[/CIF]
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