The compound described by CsSm2Ag3Te5 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms. Sm(1) is bonded to one Te(3), two equivalent Te(1), and three equivalent Te(2) atoms to form distorted SmTe6 octahedra that share  a cornercorner with one Sm(1)Te6 octahedra, corners with four equivalent Ag(2)Te4 tetrahedra, edges with four equivalent Sm(1)Te6 octahedra, edges with two equivalent Ag(1)Te4 tetrahedra, and edges with three equivalent Ag(2)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(1) and two equivalent Te(3) atoms to form distorted AgTe4 tetrahedra that share corners with two equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Ag(2)Te4 tetrahedra, and edges with four equivalent Sm(1)Te6 octahedra. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form distorted AgTe4 tetrahedra that share corners with four equivalent Sm(1)Te6 octahedra, corners with two equivalent Ag(1)Te4 tetrahedra, corners with two equivalent Ag(2)Te4 tetrahedra, edges with three equivalent Sm(1)Te6 octahedra, and  an edgeedge with one Ag(2)Te4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-62°. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), and two equivalent Ag(1) atoms. In the second Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), one Ag(1), and two equivalent Ag(2) atoms. In the third Te site, Te(2) is bonded to one Cs(1), three equivalent Sm(1), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing TeCsSm3Ag2 octahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF card [CIF]
data_CsSm2Ag3Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   18.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.006
_symmetry_Int_Tables_number   1
_cell_volume   729.011
_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
  Cs  Cs0  1  0.559  0.441  0.250  1.0
  Cs  Cs1  1  0.441  0.559  0.750  1.0
  Sm  Sm2  1  0.691  0.309  0.907  1.0
  Sm  Sm3  1  0.309  0.691  0.093  1.0
  Sm  Sm4  1  0.691  0.309  0.593  1.0
  Sm  Sm5  1  0.309  0.691  0.407  1.0
  Ag  Ag6  1  0.842  0.158  0.250  1.0
  Ag  Ag7  1  0.158  0.842  0.750  1.0
  Ag  Ag8  1  0.085  0.915  0.467  1.0
  Ag  Ag9  1  0.915  0.085  0.533  1.0
  Ag  Ag10  1  0.085  0.915  0.033  1.0
  Ag  Ag11  1  0.915  0.085  0.967  1.0
  Te  Te12  1  0.064  0.936  0.881  1.0
  Te  Te13  1  0.936  0.064  0.119  1.0
  Te  Te14  1  0.064  0.936  0.619  1.0
  Te  Te15  1  0.936  0.064  0.381  1.0
  Te  Te16  1  0.678  0.322  0.428  1.0
  Te  Te17  1  0.322  0.678  0.572  1.0
  Te  Te18  1  0.678  0.322  0.072  1.0
  Te  Te19  1  0.322  0.678  0.928  1.0
  Te  Te20  1  0.246  0.754  0.250  1.0
  Te  Te21  1  0.754  0.246  0.750  1.0
[/CIF]
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The compound described by CsSm2Ag3Te5 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms. Sm(1) is bonded to one Te(3), two equivalent Te(1), and three equivalent Te(2) atoms to form distorted SmTe6 octahedra that share  a cornercorner with one Sm(1)Te6 octahedra, corners with four equivalent Ag(2)Te4 tetrahedra, edges with four equivalent Sm(1)Te6 octahedra, edges with two equivalent Ag(1)Te4 tetrahedra, and edges with three equivalent Ag(2)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(1) and two equivalent Te(3) atoms to form distorted AgTe4 tetrahedra that share corners with two equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Ag(2)Te4 tetrahedra, and edges with four equivalent Sm(1)Te6 octahedra. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form distorted AgTe4 tetrahedra that share corners with four equivalent Sm(1)Te6 octahedra, corners with two equivalent Ag(1)Te4 tetrahedra, corners with two equivalent Ag(2)Te4 tetrahedra, edges with three equivalent Sm(1)Te6 octahedra, and  an edgeedge with one Ag(2)Te4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-62°. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), and two equivalent Ag(1) atoms. In the second Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), one Ag(1), and two equivalent Ag(2) atoms. In the third Te site, Te(2) is bonded to one Cs(1), three equivalent Sm(1), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing TeCsSm3Ag2 octahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF card [CIF]
data_CsSm2Ag3Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   18.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.006
_symmetry_Int_Tables_number   1
_cell_volume   729.011
_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
  Cs  Cs0  1  0.559  0.441  0.250  1.0
  Cs  Cs1  1  0.441  0.559  0.750  1.0
  Sm  Sm2  1  0.691  0.309  0.907  1.0
  Sm  Sm3  1  0.309  0.691  0.093  1.0
  Sm  Sm4  1  0.691  0.309  0.593  1.0
  Sm  Sm5  1  0.309  0.691  0.407  1.0
  Ag  Ag6  1  0.842  0.158  0.250  1.0
  Ag  Ag7  1  0.158  0.842  0.750  1.0
  Ag  Ag8  1  0.085  0.915  0.467  1.0
  Ag  Ag9  1  0.915  0.085  0.533  1.0
  Ag  Ag10  1  0.085  0.915  0.033  1.0
  Ag  Ag11  1  0.915  0.085  0.967  1.0
  Te  Te12  1  0.064  0.936  0.881  1.0
  Te  Te13  1  0.936  0.064  0.119  1.0
  Te  Te14  1  0.064  0.936  0.619  1.0
  Te  Te15  1  0.936  0.064  0.381  1.0
  Te  Te16  1  0.678  0.322  0.428  1.0
  Te  Te17  1  0.322  0.678  0.572  1.0
  Te  Te18  1  0.678  0.322  0.072  1.0
  Te  Te19  1  0.322  0.678  0.928  1.0
  Te  Te20  1  0.246  0.754  0.250  1.0
  Te  Te21  1  0.754  0.246  0.750  1.0
[/CIF]
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