The material described by Cr3MnTe4 crystallizes in the monoclinic P2/m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CrTe6 octahedra that share corners with four equivalent Cr(3)Te6 octahedra, corners with eight equivalent Cr(2)Te6 octahedra, edges with two equivalent Cr(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, and faces with two equivalent Cr(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form distorted CrTe6 octahedra that share corners with four equivalent Mn(1)Te6 octahedra, corners with eight equivalent Cr(1)Te6 octahedra, edges with two equivalent Cr(2)Te6 octahedra, edges with four equivalent Cr(3)Te6 octahedra, and faces with two equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Cr site, Cr(3) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CrTe6 octahedra that share corners with four equivalent Cr(1)Te6 octahedra, corners with eight equivalent Mn(1)Te6 octahedra, edges with two equivalent Cr(3)Te6 octahedra, edges with four equivalent Cr(2)Te6 octahedra, and faces with two equivalent Cr(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Mn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form distorted MnTe6 octahedra that share corners with four equivalent Cr(2)Te6 octahedra, corners with eight equivalent Cr(3)Te6 octahedra, edges with two equivalent Mn(1)Te6 octahedra, edges with four equivalent Cr(1)Te6 octahedra, and faces with two equivalent Cr(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(3), two equivalent Cr(2), and two equivalent Mn(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCr3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   6.173
_cell_length_c   7.178
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.688
_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  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  Te  Te4  1  0.500  0.755  0.168  1.0
  Te  Te5  1  0.000  0.751  0.665  1.0
  Te  Te6  1  0.000  0.249  0.335  1.0
  Te  Te7  1  0.500  0.245  0.832  1.0
[/CIF]
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The material described by Cr3MnTe4 crystallizes in the monoclinic P2/m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CrTe6 octahedra that share corners with four equivalent Cr(3)Te6 octahedra, corners with eight equivalent Cr(2)Te6 octahedra, edges with two equivalent Cr(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, and faces with two equivalent Cr(3)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form distorted CrTe6 octahedra that share corners with four equivalent Mn(1)Te6 octahedra, corners with eight equivalent Cr(1)Te6 octahedra, edges with two equivalent Cr(2)Te6 octahedra, edges with four equivalent Cr(3)Te6 octahedra, and faces with two equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Cr site, Cr(3) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CrTe6 octahedra that share corners with four equivalent Cr(1)Te6 octahedra, corners with eight equivalent Mn(1)Te6 octahedra, edges with two equivalent Cr(3)Te6 octahedra, edges with four equivalent Cr(2)Te6 octahedra, and faces with two equivalent Cr(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Mn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form distorted MnTe6 octahedra that share corners with four equivalent Cr(2)Te6 octahedra, corners with eight equivalent Cr(3)Te6 octahedra, edges with two equivalent Mn(1)Te6 octahedra, edges with four equivalent Cr(1)Te6 octahedra, and faces with two equivalent Cr(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(3), two equivalent Cr(2), and two equivalent Mn(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCr3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   6.173
_cell_length_c   7.178
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.688
_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  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  Te  Te4  1  0.500  0.755  0.168  1.0
  Te  Te5  1  0.000  0.751  0.665  1.0
  Te  Te6  1  0.000  0.249  0.335  1.0
  Te  Te7  1  0.500  0.245  0.832  1.0
[/CIF]
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