The crystal structure described by CuMn2InSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Mn(1) is bonded to four equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Mn(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with eight equivalent Mn(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Mn(1), one Cu(1), and one In(1) atom to form corner-sharing SeMn2InCu tetrahedra. is represented by the CIF card [CIF]
data_Mn2InCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   6.859
_cell_angle_alpha   131.416
_cell_angle_beta   131.416
_cell_angle_gamma   71.152
_symmetry_Int_Tables_number   1
_cell_volume   177.636
_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
  Mn  Mn0  1  0.250  0.750  0.500  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.918  0.372  0.000  1.0
  Se  Se5  1  0.082  0.082  0.454  1.0
  Se  Se6  1  0.628  0.628  0.546  1.0
  Se  Se7  1  0.372  0.918  0.000  1.0
[/CIF]
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The crystal structure described by CuMn2InSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Mn(1) is bonded to four equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Mn(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with eight equivalent Mn(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Mn(1), one Cu(1), and one In(1) atom to form corner-sharing SeMn2InCu tetrahedra. is represented by the CIF card [CIF]
data_Mn2InCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   6.859
_cell_angle_alpha   131.416
_cell_angle_beta   131.416
_cell_angle_gamma   71.152
_symmetry_Int_Tables_number   1
_cell_volume   177.636
_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
  Mn  Mn0  1  0.250  0.750  0.500  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.918  0.372  0.000  1.0
  Se  Se5  1  0.082  0.082  0.454  1.0
  Se  Se6  1  0.628  0.628  0.546  1.0
  Se  Se7  1  0.372  0.918  0.000  1.0
[/CIF]
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