The crystal structure described by MnCuInTe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Mn(1) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with two equivalent Mn(1)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent In(1)Te4 tetrahedra. Cu(1) is bonded to one Te(2), one Te(3), and two equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with five equivalent Mn(1)Te4 tetrahedra, and corners with five equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form InTe4 tetrahedra that share corners with two equivalent In(1)Te4 tetrahedra, corners with five equivalent Mn(1)Te4 tetrahedra, and corners with five equivalent Cu(1)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1), two equivalent Cu(1), and one In(1) atom to form TeMnInCu2 tetrahedra that share corners with two equivalent Te(1)MnInCu2 tetrahedra, corners with five equivalent Te(2)Mn2InCu tetrahedra, and corners with five equivalent Te(3)MnIn2Cu tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn2InCu tetrahedra that share corners with two equivalent Te(2)Mn2InCu tetrahedra, corners with five equivalent Te(3)MnIn2Cu tetrahedra, and corners with five equivalent Te(1)MnInCu2 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(1), one Cu(1), and two equivalent In(1) atoms to form TeMnIn2Cu tetrahedra that share corners with two equivalent Te(3)MnIn2Cu tetrahedra, corners with five equivalent Te(2)Mn2InCu tetrahedra, and corners with five equivalent Te(1)MnInCu2 tetrahedra. is represented by the CIF card [CIF]
data_MnInCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.477
_cell_length_b   6.272
_cell_length_c   7.704
_cell_angle_alpha   65.979
_cell_angle_beta   73.106
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.330
_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  0.337  0.336  0.326  1.0
  In  In1  1  0.665  0.675  0.671  1.0
  Cu  Cu2  1  0.999  0.991  0.002  1.0
  Te  Te3  1  0.493  0.768  0.014  1.0
  Te  Te4  1  0.845  0.097  0.309  1.0
  Te  Te5  1  0.161  0.383  0.678  1.0
[/CIF]
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The crystal structure described by MnCuInTe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Mn(1) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with two equivalent Mn(1)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent In(1)Te4 tetrahedra. Cu(1) is bonded to one Te(2), one Te(3), and two equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with five equivalent Mn(1)Te4 tetrahedra, and corners with five equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form InTe4 tetrahedra that share corners with two equivalent In(1)Te4 tetrahedra, corners with five equivalent Mn(1)Te4 tetrahedra, and corners with five equivalent Cu(1)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(1), two equivalent Cu(1), and one In(1) atom to form TeMnInCu2 tetrahedra that share corners with two equivalent Te(1)MnInCu2 tetrahedra, corners with five equivalent Te(2)Mn2InCu tetrahedra, and corners with five equivalent Te(3)MnIn2Cu tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn2InCu tetrahedra that share corners with two equivalent Te(2)Mn2InCu tetrahedra, corners with five equivalent Te(3)MnIn2Cu tetrahedra, and corners with five equivalent Te(1)MnInCu2 tetrahedra. In the third Te site, Te(3) is bonded to one Mn(1), one Cu(1), and two equivalent In(1) atoms to form TeMnIn2Cu tetrahedra that share corners with two equivalent Te(3)MnIn2Cu tetrahedra, corners with five equivalent Te(2)Mn2InCu tetrahedra, and corners with five equivalent Te(1)MnInCu2 tetrahedra. is represented by the CIF card [CIF]
data_MnInCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.477
_cell_length_b   6.272
_cell_length_c   7.704
_cell_angle_alpha   65.979
_cell_angle_beta   73.106
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.330
_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  0.337  0.336  0.326  1.0
  In  In1  1  0.665  0.675  0.671  1.0
  Cu  Cu2  1  0.999  0.991  0.002  1.0
  Te  Te3  1  0.493  0.768  0.014  1.0
  Te  Te4  1  0.845  0.097  0.309  1.0
  Te  Te5  1  0.161  0.383  0.678  1.0
[/CIF]
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