The structure described by Mn2SbTe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two 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 one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the third Mn site, Mn(3) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the fourth Mn site, Mn(4) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(2)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(2)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Sb site, Sb(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form SbMn6 octahedra that share corners with four equivalent Te(2)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(2)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(2)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(2)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Te site, Te(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(2)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(2)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. is represented by the CIF file [CIF]
data_Mn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.862
_cell_length_b   7.645
_cell_length_c   7.244
_cell_angle_alpha   90.083
_cell_angle_beta   89.939
_cell_angle_gamma   120.040
_symmetry_Int_Tables_number   1
_cell_volume   185.142
_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  0.324  0.828  0.242  1.0
  Mn  Mn1  1  0.338  0.334  0.251  1.0
  Mn  Mn2  1  0.666  0.669  0.742  1.0
  Mn  Mn3  1  0.658  0.163  0.754  1.0
  Sb  Sb4  1  0.993  0.999  0.000  1.0
  Sb  Sb5  1  1.000  0.499  0.496  1.0
  Te  Te6  1  0.004  0.001  0.501  1.0
  Te  Te7  1  0.997  0.497  0.992  1.0
[/CIF]
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The structure described by Mn2SbTe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two 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 one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the third Mn site, Mn(3) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the fourth Mn site, Mn(4) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(2)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(2)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Sb site, Sb(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form SbMn6 octahedra that share corners with four equivalent Te(2)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(2)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(2)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(2)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Te site, Te(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(2)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(2)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. is represented by the CIF file [CIF]
data_Mn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.862
_cell_length_b   7.645
_cell_length_c   7.244
_cell_angle_alpha   90.083
_cell_angle_beta   89.939
_cell_angle_gamma   120.040
_symmetry_Int_Tables_number   1
_cell_volume   185.142
_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  0.324  0.828  0.242  1.0
  Mn  Mn1  1  0.338  0.334  0.251  1.0
  Mn  Mn2  1  0.666  0.669  0.742  1.0
  Mn  Mn3  1  0.658  0.163  0.754  1.0
  Sb  Sb4  1  0.993  0.999  0.000  1.0
  Sb  Sb5  1  1.000  0.499  0.496  1.0
  Te  Te6  1  0.004  0.001  0.501  1.0
  Te  Te7  1  0.997  0.497  0.992  1.0
[/CIF]
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