The material structure described by La20Mn8C12Te7 crystallizes in the cubic Fm-3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Te(2), and two equivalent Te(1) atoms. In the second La site, La(2) is bonded to three equivalent C(1) and three equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing LaTe3C3 octahedra. The corner-sharing octahedral tilt angles range from 21-45°. Mn(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Mn(1) atoms to form distorted CLa4Mn2 octahedra that share corners with two equivalent Te(2)La12 cuboctahedra and edges with five equivalent C(1)La4Mn2 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent La(2) atoms. In the second Te site, Te(2) is bonded to twelve equivalent La(1) atoms to form TeLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Mn2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF card [CIF]
data_La20Mn8Te7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.577
_cell_length_b   11.577
_cell_length_c   11.577
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1097.038
_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  0.500  0.842  1.0
  La  La1  1  0.158  0.500  0.842  1.0
  La  La2  1  0.500  0.158  0.842  1.0
  La  La3  1  0.158  0.842  0.500  1.0
  La  La4  1  0.500  0.842  0.500  1.0
  La  La5  1  0.500  0.842  0.158  1.0
  La  La6  1  0.842  0.158  0.500  1.0
  La  La7  1  0.842  0.500  0.158  1.0
  La  La8  1  0.842  0.500  0.500  1.0
  La  La9  1  0.500  0.500  0.158  1.0
  La  La10  1  0.500  0.158  0.500  1.0
  La  La11  1  0.158  0.500  0.500  1.0
  La  La12  1  0.135  0.135  0.594  1.0
  La  La13  1  0.135  0.594  0.135  1.0
  La  La14  1  0.594  0.135  0.135  1.0
  La  La15  1  0.135  0.135  0.135  1.0
  La  La16  1  0.865  0.865  0.406  1.0
  La  La17  1  0.865  0.406  0.865  1.0
  La  La18  1  0.406  0.865  0.865  1.0
  La  La19  1  0.865  0.865  0.865  1.0
  Mn  Mn20  1  0.304  0.304  0.089  1.0
  Mn  Mn21  1  0.304  0.089  0.304  1.0
  Mn  Mn22  1  0.089  0.304  0.304  1.0
  Mn  Mn23  1  0.304  0.304  0.304  1.0
  Mn  Mn24  1  0.696  0.696  0.911  1.0
  Mn  Mn25  1  0.696  0.911  0.696  1.0
  Mn  Mn26  1  0.911  0.696  0.696  1.0
  Mn  Mn27  1  0.696  0.696  0.696  1.0
  Te  Te28  1  0.214  0.214  0.786  1.0
  Te  Te29  1  0.786  0.214  0.786  1.0
  Te  Te30  1  0.214  0.786  0.786  1.0
  Te  Te31  1  0.786  0.786  0.214  1.0
  Te  Te32  1  0.214  0.786  0.214  1.0
  Te  Te33  1  0.786  0.214  0.214  1.0
  Te  Te34  1  0.500  0.500  0.500  1.0
  C  C35  1  0.394  0.394  0.106  1.0
  C  C36  1  0.106  0.394  0.106  1.0
  C  C37  1  0.394  0.106  0.106  1.0
  C  C38  1  0.106  0.106  0.394  1.0
  C  C39  1  0.394  0.106  0.394  1.0
  C  C40  1  0.106  0.394  0.394  1.0
  C  C41  1  0.606  0.606  0.894  1.0
  C  C42  1  0.894  0.606  0.894  1.0
  C  C43  1  0.606  0.894  0.894  1.0
  C  C44  1  0.894  0.894  0.606  1.0
  C  C45  1  0.606  0.894  0.606  1.0
  C  C46  1  0.894  0.606  0.606  1.0
[/CIF]
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The material structure described by La20Mn8C12Te7 crystallizes in the cubic Fm-3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Te(2), and two equivalent Te(1) atoms. In the second La site, La(2) is bonded to three equivalent C(1) and three equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing LaTe3C3 octahedra. The corner-sharing octahedral tilt angles range from 21-45°. Mn(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Mn(1) atoms to form distorted CLa4Mn2 octahedra that share corners with two equivalent Te(2)La12 cuboctahedra and edges with five equivalent C(1)La4Mn2 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent La(2) atoms. In the second Te site, Te(2) is bonded to twelve equivalent La(1) atoms to form TeLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Mn2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF card [CIF]
data_La20Mn8Te7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.577
_cell_length_b   11.577
_cell_length_c   11.577
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1097.038
_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  0.500  0.842  1.0
  La  La1  1  0.158  0.500  0.842  1.0
  La  La2  1  0.500  0.158  0.842  1.0
  La  La3  1  0.158  0.842  0.500  1.0
  La  La4  1  0.500  0.842  0.500  1.0
  La  La5  1  0.500  0.842  0.158  1.0
  La  La6  1  0.842  0.158  0.500  1.0
  La  La7  1  0.842  0.500  0.158  1.0
  La  La8  1  0.842  0.500  0.500  1.0
  La  La9  1  0.500  0.500  0.158  1.0
  La  La10  1  0.500  0.158  0.500  1.0
  La  La11  1  0.158  0.500  0.500  1.0
  La  La12  1  0.135  0.135  0.594  1.0
  La  La13  1  0.135  0.594  0.135  1.0
  La  La14  1  0.594  0.135  0.135  1.0
  La  La15  1  0.135  0.135  0.135  1.0
  La  La16  1  0.865  0.865  0.406  1.0
  La  La17  1  0.865  0.406  0.865  1.0
  La  La18  1  0.406  0.865  0.865  1.0
  La  La19  1  0.865  0.865  0.865  1.0
  Mn  Mn20  1  0.304  0.304  0.089  1.0
  Mn  Mn21  1  0.304  0.089  0.304  1.0
  Mn  Mn22  1  0.089  0.304  0.304  1.0
  Mn  Mn23  1  0.304  0.304  0.304  1.0
  Mn  Mn24  1  0.696  0.696  0.911  1.0
  Mn  Mn25  1  0.696  0.911  0.696  1.0
  Mn  Mn26  1  0.911  0.696  0.696  1.0
  Mn  Mn27  1  0.696  0.696  0.696  1.0
  Te  Te28  1  0.214  0.214  0.786  1.0
  Te  Te29  1  0.786  0.214  0.786  1.0
  Te  Te30  1  0.214  0.786  0.786  1.0
  Te  Te31  1  0.786  0.786  0.214  1.0
  Te  Te32  1  0.214  0.786  0.214  1.0
  Te  Te33  1  0.786  0.214  0.214  1.0
  Te  Te34  1  0.500  0.500  0.500  1.0
  C  C35  1  0.394  0.394  0.106  1.0
  C  C36  1  0.106  0.394  0.106  1.0
  C  C37  1  0.394  0.106  0.106  1.0
  C  C38  1  0.106  0.106  0.394  1.0
  C  C39  1  0.394  0.106  0.394  1.0
  C  C40  1  0.106  0.394  0.394  1.0
  C  C41  1  0.606  0.606  0.894  1.0
  C  C42  1  0.894  0.606  0.894  1.0
  C  C43  1  0.606  0.894  0.894  1.0
  C  C44  1  0.894  0.894  0.606  1.0
  C  C45  1  0.606  0.894  0.606  1.0
  C  C46  1  0.894  0.606  0.606  1.0
[/CIF]
.