The material described by Mn2CuInTe4 is alpha Po-derived structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with four equivalent In(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Cu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CuTe6 octahedra that share corners with two equivalent In(1)Te6 octahedra, corners with four equivalent Cu(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with two equivalent Cu(1)Te6 octahedra, corners with four equivalent In(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Mn(1), two equivalent Cu(1), and two equivalent In(1) atoms to form TeMn2In2Cu2 octahedra that share corners with six equivalent Te(1)Mn2In2Cu2 octahedra, edges with four equivalent Te(1)Mn2In2Cu2 octahedra, and edges with eight equivalent Te(2)Mn4InCu octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn4InCu octahedra that share corners with six equivalent Te(2)Mn4InCu octahedra, edges with four equivalent Te(2)Mn4InCu octahedra, and edges with eight equivalent Te(1)Mn2In2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Mn2InCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.156
_cell_length_b   7.156
_cell_length_c   7.156
_cell_angle_alpha   131.695
_cell_angle_beta   131.695
_cell_angle_gamma   70.712
_symmetry_Int_Tables_number   1
_cell_volume   200.110
_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
  Te  Te4  1  0.000  0.500  0.500  1.0
  Te  Te5  1  0.235  0.235  0.000  1.0
  Te  Te6  1  0.500  0.000  0.500  1.0
  Te  Te7  1  0.765  0.765  0.000  1.0
[/CIF]
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The material described by Mn2CuInTe4 is alpha Po-derived structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with four equivalent In(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Cu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CuTe6 octahedra that share corners with two equivalent In(1)Te6 octahedra, corners with four equivalent Cu(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with two equivalent Cu(1)Te6 octahedra, corners with four equivalent In(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Mn(1), two equivalent Cu(1), and two equivalent In(1) atoms to form TeMn2In2Cu2 octahedra that share corners with six equivalent Te(1)Mn2In2Cu2 octahedra, edges with four equivalent Te(1)Mn2In2Cu2 octahedra, and edges with eight equivalent Te(2)Mn4InCu octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn4InCu octahedra that share corners with six equivalent Te(2)Mn4InCu octahedra, edges with four equivalent Te(2)Mn4InCu octahedra, and edges with eight equivalent Te(1)Mn2In2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Mn2InCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.156
_cell_length_b   7.156
_cell_length_c   7.156
_cell_angle_alpha   131.695
_cell_angle_beta   131.695
_cell_angle_gamma   70.712
_symmetry_Int_Tables_number   1
_cell_volume   200.110
_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
  Te  Te4  1  0.000  0.500  0.500  1.0
  Te  Te5  1  0.235  0.235  0.000  1.0
  Te  Te6  1  0.500  0.000  0.500  1.0
  Te  Te7  1  0.765  0.765  0.000  1.0
[/CIF]
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