The material described by Lu2MnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Lu(1) is bonded to six equivalent Se(1) atoms to form LuSe6 octahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and edges with six equivalent Lu(1)Se6 octahedra. Mn(1) is bonded to four equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with twelve equivalent Lu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 56°. Se(1) is bonded in a rectangular see-saw-like geometry to three equivalent Lu(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.050
_cell_length_b   8.050
_cell_length_c   8.050
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   368.821
_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
  Lu  Lu0  1  0.125  0.625  0.625  1.0
  Lu  Lu1  1  0.625  0.125  0.625  1.0
  Lu  Lu2  1  0.625  0.625  0.125  1.0
  Lu  Lu3  1  0.625  0.625  0.625  1.0
  Mn  Mn4  1  0.250  0.250  0.250  1.0
  Mn  Mn5  1  1.000  1.000  0.000  1.0
  Se  Se6  1  0.860  0.380  0.380  1.0
  Se  Se7  1  0.380  0.860  0.380  1.0
  Se  Se8  1  0.380  0.380  0.860  1.0
  Se  Se9  1  0.380  0.380  0.380  1.0
  Se  Se10  1  0.389  0.870  0.870  1.0
  Se  Se11  1  0.870  0.389  0.870  1.0
  Se  Se12  1  0.870  0.870  0.389  1.0
  Se  Se13  1  0.870  0.870  0.870  1.0
[/CIF]
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The material described by Lu2MnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Lu(1) is bonded to six equivalent Se(1) atoms to form LuSe6 octahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and edges with six equivalent Lu(1)Se6 octahedra. Mn(1) is bonded to four equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with twelve equivalent Lu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 56°. Se(1) is bonded in a rectangular see-saw-like geometry to three equivalent Lu(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.050
_cell_length_b   8.050
_cell_length_c   8.050
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   368.821
_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
  Lu  Lu0  1  0.125  0.625  0.625  1.0
  Lu  Lu1  1  0.625  0.125  0.625  1.0
  Lu  Lu2  1  0.625  0.625  0.125  1.0
  Lu  Lu3  1  0.625  0.625  0.625  1.0
  Mn  Mn4  1  0.250  0.250  0.250  1.0
  Mn  Mn5  1  1.000  1.000  0.000  1.0
  Se  Se6  1  0.860  0.380  0.380  1.0
  Se  Se7  1  0.380  0.860  0.380  1.0
  Se  Se8  1  0.380  0.380  0.860  1.0
  Se  Se9  1  0.380  0.380  0.380  1.0
  Se  Se10  1  0.389  0.870  0.870  1.0
  Se  Se11  1  0.870  0.389  0.870  1.0
  Se  Se12  1  0.870  0.870  0.389  1.0
  Se  Se13  1  0.870  0.870  0.870  1.0
[/CIF]
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