The material structure described by Cr3MnTe4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CrTe6 octahedra that share corners with twelve equivalent Cr(2)MnTe6 octahedra, edges with two equivalent Cr(1)Te6 octahedra, edges with four equivalent Mn(1)Cr2Te6 octahedra, and faces with two equivalent Cr(2)MnTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Cr site, Cr(2) is bonded to one Mn(1), three equivalent Te(1), and three equivalent Te(2) atoms to form distorted CrMnTe6 octahedra that share  a cornercorner with one Cr(2)MnTe6 octahedra, corners with six equivalent Cr(1)Te6 octahedra, corners with six equivalent Mn(1)Cr2Te6 octahedra, edges with six equivalent Cr(2)MnTe6 octahedra,  a faceface with one Cr(1)Te6 octahedra, and  a faceface with one Mn(1)Cr2Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. Mn(1) is bonded to two equivalent Cr(2), two equivalent Te(1), and four equivalent Te(2) atoms to form distorted MnCr2Te6 octahedra that share corners with twelve equivalent Cr(2)MnTe6 octahedra, edges with two equivalent Mn(1)Cr2Te6 octahedra, edges with four equivalent Cr(1)Te6 octahedra, and faces with two equivalent Cr(2)MnTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), three equivalent Cr(2), and one Mn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Cr(1), three equivalent Cr(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnCr3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.161
_cell_angle_alpha   60.988
_cell_angle_beta   60.988
_cell_angle_gamma   32.687
_symmetry_Int_Tables_number   1
_cell_volume   180.943
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.246  0.246  0.752  1.0
  Cr  Cr3  1  0.754  0.754  0.248  1.0
  Te  Te4  1  0.873  0.873  0.791  1.0
  Te  Te5  1  0.374  0.374  0.294  1.0
  Te  Te6  1  0.626  0.626  0.706  1.0
  Te  Te7  1  0.127  0.127  0.209  1.0
[/CIF]
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The material structure described by Cr3MnTe4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CrTe6 octahedra that share corners with twelve equivalent Cr(2)MnTe6 octahedra, edges with two equivalent Cr(1)Te6 octahedra, edges with four equivalent Mn(1)Cr2Te6 octahedra, and faces with two equivalent Cr(2)MnTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Cr site, Cr(2) is bonded to one Mn(1), three equivalent Te(1), and three equivalent Te(2) atoms to form distorted CrMnTe6 octahedra that share  a cornercorner with one Cr(2)MnTe6 octahedra, corners with six equivalent Cr(1)Te6 octahedra, corners with six equivalent Mn(1)Cr2Te6 octahedra, edges with six equivalent Cr(2)MnTe6 octahedra,  a faceface with one Cr(1)Te6 octahedra, and  a faceface with one Mn(1)Cr2Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. Mn(1) is bonded to two equivalent Cr(2), two equivalent Te(1), and four equivalent Te(2) atoms to form distorted MnCr2Te6 octahedra that share corners with twelve equivalent Cr(2)MnTe6 octahedra, edges with two equivalent Mn(1)Cr2Te6 octahedra, edges with four equivalent Cr(1)Te6 octahedra, and faces with two equivalent Cr(2)MnTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), three equivalent Cr(2), and one Mn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Cr(1), three equivalent Cr(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnCr3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.161
_cell_angle_alpha   60.988
_cell_angle_beta   60.988
_cell_angle_gamma   32.687
_symmetry_Int_Tables_number   1
_cell_volume   180.943
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.246  0.246  0.752  1.0
  Cr  Cr3  1  0.754  0.754  0.248  1.0
  Te  Te4  1  0.873  0.873  0.791  1.0
  Te  Te5  1  0.374  0.374  0.294  1.0
  Te  Te6  1  0.626  0.626  0.706  1.0
  Te  Te7  1  0.127  0.127  0.209  1.0
[/CIF]
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