The material described by La4SbTe7 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Sb(1), one Te(1), two equivalent Te(5), and four equivalent Te(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Te(2); four equivalent Te(1); and four equivalent Te(3,4) atoms. Sb(1) is bonded to four equivalent La(1) and four equivalent Te(5) atoms to form distorted SbLa4Te4 hexagonal bipyramids that share corners with four equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, corners with eight equivalent Te(2)La5 trigonal bipyramids, edges with four equivalent Te(5)La4Sb4 hexagonal bipyramids, edges with four equivalent Te(2)La5 trigonal bipyramids, and faces with four equivalent Sb(1)La4Te4 hexagonal bipyramids. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one La(1) and four equivalent La(2) atoms to form distorted TeLa5 trigonal bipyramids that share corners with two equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with two equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, edges with four equivalent Te(1)La5 trigonal bipyramids, and edges with four equivalent Te(2)La5 trigonal bipyramids. In the second Te site, Te(2) is bonded to one La(2) and four equivalent La(1) atoms to form distorted TeLa5 trigonal bipyramids that share corners with four equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with four equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(2)La5 trigonal bipyramids, edges with two equivalent Sb(1)La4Te4 hexagonal bipyramids, edges with two equivalent Te(5)La4Sb4 hexagonal bipyramids, edges with four equivalent Te(1)La5 trigonal bipyramids, and edges with four equivalent Te(2)La5 trigonal bipyramids. In the third Te site, Te(3,4) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent Te(3,4) atoms. In the fourth Te site, Te(5) is bonded to four equivalent La(1) and four equivalent Sb(1) atoms to form distorted TeLa4Sb4 hexagonal bipyramids that share corners with four equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, corners with eight equivalent Te(2)La5 trigonal bipyramids, edges with four equivalent Sb(1)La4Te4 hexagonal bipyramids, edges with four equivalent Te(2)La5 trigonal bipyramids, and faces with four equivalent Te(5)La4Sb4 hexagonal bipyramids. is represented by the CIF file [CIF]
data_La4SbTe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.525
_cell_length_b   4.525
_cell_length_c   18.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.295
_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
  La  La0  1  0.500  0.000  0.138  1.0
  La  La1  1  0.500  0.000  0.637  1.0
  La  La2  1  0.000  0.500  0.363  1.0
  La  La3  1  0.000  0.500  0.862  1.0
  Sb  Sb4  1  0.500  0.500  0.000  1.0
  Te  Te5  1  0.500  0.000  0.317  1.0
  Te  Te6  1  0.500  0.000  0.815  1.0
  Te  Te7  1  0.000  0.500  0.185  1.0
  Te  Te8  1  0.000  0.500  0.683  1.0
  Te  Te9  1  0.500  0.500  0.500  1.0
  Te  Te10  1  0.000  0.000  0.500  1.0
  Te  Te11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by La4SbTe7 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Sb(1), one Te(1), two equivalent Te(5), and four equivalent Te(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Te(2); four equivalent Te(1); and four equivalent Te(3,4) atoms. Sb(1) is bonded to four equivalent La(1) and four equivalent Te(5) atoms to form distorted SbLa4Te4 hexagonal bipyramids that share corners with four equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, corners with eight equivalent Te(2)La5 trigonal bipyramids, edges with four equivalent Te(5)La4Sb4 hexagonal bipyramids, edges with four equivalent Te(2)La5 trigonal bipyramids, and faces with four equivalent Sb(1)La4Te4 hexagonal bipyramids. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one La(1) and four equivalent La(2) atoms to form distorted TeLa5 trigonal bipyramids that share corners with two equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with two equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, edges with four equivalent Te(1)La5 trigonal bipyramids, and edges with four equivalent Te(2)La5 trigonal bipyramids. In the second Te site, Te(2) is bonded to one La(2) and four equivalent La(1) atoms to form distorted TeLa5 trigonal bipyramids that share corners with four equivalent Sb(1)La4Te4 hexagonal bipyramids, corners with four equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(2)La5 trigonal bipyramids, edges with two equivalent Sb(1)La4Te4 hexagonal bipyramids, edges with two equivalent Te(5)La4Sb4 hexagonal bipyramids, edges with four equivalent Te(1)La5 trigonal bipyramids, and edges with four equivalent Te(2)La5 trigonal bipyramids. In the third Te site, Te(3,4) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent Te(3,4) atoms. In the fourth Te site, Te(5) is bonded to four equivalent La(1) and four equivalent Sb(1) atoms to form distorted TeLa4Sb4 hexagonal bipyramids that share corners with four equivalent Te(5)La4Sb4 hexagonal bipyramids, corners with four equivalent Te(1)La5 trigonal bipyramids, corners with eight equivalent Te(2)La5 trigonal bipyramids, edges with four equivalent Sb(1)La4Te4 hexagonal bipyramids, edges with four equivalent Te(2)La5 trigonal bipyramids, and faces with four equivalent Te(5)La4Sb4 hexagonal bipyramids. is represented by the CIF file [CIF]
data_La4SbTe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.525
_cell_length_b   4.525
_cell_length_c   18.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.295
_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
  La  La0  1  0.500  0.000  0.138  1.0
  La  La1  1  0.500  0.000  0.637  1.0
  La  La2  1  0.000  0.500  0.363  1.0
  La  La3  1  0.000  0.500  0.862  1.0
  Sb  Sb4  1  0.500  0.500  0.000  1.0
  Te  Te5  1  0.500  0.000  0.317  1.0
  Te  Te6  1  0.500  0.000  0.815  1.0
  Te  Te7  1  0.000  0.500  0.185  1.0
  Te  Te8  1  0.000  0.500  0.683  1.0
  Te  Te9  1  0.500  0.500  0.500  1.0
  Te  Te10  1  0.000  0.000  0.500  1.0
  Te  Te11  1  0.000  0.000  0.000  1.0
[/CIF]
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