The material structure described by Mn2SbTe is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. Sb(1) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. Te(1) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. is represented by the CIF card [CIF]
data_Mn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.862
_cell_length_b   6.618
_cell_length_c   7.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.144
_cell_formula_units_Z   2
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  0.828  0.506  1.0
  Mn  Mn1  1  0.500  0.328  0.494  1.0
  Mn  Mn2  1  0.500  0.669  0.006  1.0
  Mn  Mn3  1  0.000  0.169  0.994  1.0
  Sb  Sb4  1  0.500  0.999  0.748  1.0
  Sb  Sb5  1  0.000  0.499  0.252  1.0
  Te  Te6  1  0.500  0.001  0.247  1.0
  Te  Te7  1  0.000  0.501  0.753  1.0
[/CIF]
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The material structure described by Mn2SbTe is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. Sb(1) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. Te(1) is bonded to three equivalent Mn(1) and three equivalent Mn(2) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. is represented by the CIF card [CIF]
data_Mn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.862
_cell_length_b   6.618
_cell_length_c   7.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.144
_cell_formula_units_Z   2
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  0.828  0.506  1.0
  Mn  Mn1  1  0.500  0.328  0.494  1.0
  Mn  Mn2  1  0.500  0.669  0.006  1.0
  Mn  Mn3  1  0.000  0.169  0.994  1.0
  Sb  Sb4  1  0.500  0.999  0.748  1.0
  Sb  Sb5  1  0.000  0.499  0.252  1.0
  Te  Te6  1  0.500  0.001  0.247  1.0
  Te  Te7  1  0.000  0.501  0.753  1.0
[/CIF]
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