The material structure described by La21Mn8C12Sb7 crystallizes in the cubic Fm-3m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Sb(2), and two equivalent Sb(1) atoms. In the second La site, La(2) is bonded to three equivalent C(1) and three equivalent Sb(1) atoms to form distorted LaSb3C3 octahedra that share corners with six equivalent La(2)Sb3C3 octahedra, edges with three equivalent La(2)Sb3C3 octahedra, and  a faceface with one La(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the third La site, La(3) is bonded to six equivalent Sb(1) atoms to form face-sharing LaSb6 octahedra. 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 Sb(2)La12 cuboctahedra and edges with five equivalent C(1)La4Mn2 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one La(3), four equivalent La(1), and four equivalent La(2) atoms. In the second Sb site, Sb(2) is bonded to twelve equivalent La(1) atoms to form SbLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Mn2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La21Mn8Sb7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.646
_cell_length_b   11.646
_cell_length_c   11.646
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1116.890
_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  0.000  0.000  0.340  1.0
  La  La1  1  0.660  0.000  0.340  1.0
  La  La2  1  0.000  0.660  0.340  1.0
  La  La3  1  0.660  0.340  0.000  1.0
  La  La4  1  0.000  0.340  0.000  1.0
  La  La5  1  0.000  0.340  0.660  1.0
  La  La6  1  0.340  0.660  0.000  1.0
  La  La7  1  0.340  0.000  0.660  1.0
  La  La8  1  0.340  0.000  0.000  1.0
  La  La9  1  0.000  0.000  0.660  1.0
  La  La10  1  0.000  0.660  0.000  1.0
  La  La11  1  0.660  0.000  0.000  1.0
  La  La12  1  0.635  0.635  0.095  1.0
  La  La13  1  0.635  0.095  0.635  1.0
  La  La14  1  0.095  0.635  0.635  1.0
  La  La15  1  0.635  0.635  0.635  1.0
  La  La16  1  0.365  0.365  0.905  1.0
  La  La17  1  0.365  0.905  0.365  1.0
  La  La18  1  0.905  0.365  0.365  1.0
  La  La19  1  0.365  0.365  0.365  1.0
  La  La20  1  0.500  0.500  0.500  1.0
  Mn  Mn21  1  0.802  0.802  0.594  1.0
  Mn  Mn22  1  0.802  0.594  0.802  1.0
  Mn  Mn23  1  0.594  0.802  0.802  1.0
  Mn  Mn24  1  0.802  0.802  0.802  1.0
  Mn  Mn25  1  0.198  0.198  0.406  1.0
  Mn  Mn26  1  0.198  0.406  0.198  1.0
  Mn  Mn27  1  0.406  0.198  0.198  1.0
  Mn  Mn28  1  0.198  0.198  0.198  1.0
  Sb  Sb29  1  0.709  0.709  0.291  1.0
  Sb  Sb30  1  0.291  0.709  0.291  1.0
  Sb  Sb31  1  0.709  0.291  0.291  1.0
  Sb  Sb32  1  0.291  0.291  0.709  1.0
  Sb  Sb33  1  0.709  0.291  0.709  1.0
  Sb  Sb34  1  0.291  0.709  0.709  1.0
  Sb  Sb35  1  0.000  0.000  0.000  1.0
  C  C36  1  0.894  0.894  0.606  1.0
  C  C37  1  0.606  0.894  0.606  1.0
  C  C38  1  0.894  0.606  0.606  1.0
  C  C39  1  0.606  0.606  0.894  1.0
  C  C40  1  0.894  0.606  0.894  1.0
  C  C41  1  0.606  0.894  0.894  1.0
  C  C42  1  0.106  0.106  0.394  1.0
  C  C43  1  0.394  0.106  0.394  1.0
  C  C44  1  0.106  0.394  0.394  1.0
  C  C45  1  0.394  0.394  0.106  1.0
  C  C46  1  0.106  0.394  0.106  1.0
  C  C47  1  0.394  0.106  0.106  1.0
[/CIF]
.
The material structure described by La21Mn8C12Sb7 crystallizes in the cubic Fm-3m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Sb(2), and two equivalent Sb(1) atoms. In the second La site, La(2) is bonded to three equivalent C(1) and three equivalent Sb(1) atoms to form distorted LaSb3C3 octahedra that share corners with six equivalent La(2)Sb3C3 octahedra, edges with three equivalent La(2)Sb3C3 octahedra, and  a faceface with one La(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the third La site, La(3) is bonded to six equivalent Sb(1) atoms to form face-sharing LaSb6 octahedra. 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 Sb(2)La12 cuboctahedra and edges with five equivalent C(1)La4Mn2 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one La(3), four equivalent La(1), and four equivalent La(2) atoms. In the second Sb site, Sb(2) is bonded to twelve equivalent La(1) atoms to form SbLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Mn2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La21Mn8Sb7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.646
_cell_length_b   11.646
_cell_length_c   11.646
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1116.890
_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  0.000  0.000  0.340  1.0
  La  La1  1  0.660  0.000  0.340  1.0
  La  La2  1  0.000  0.660  0.340  1.0
  La  La3  1  0.660  0.340  0.000  1.0
  La  La4  1  0.000  0.340  0.000  1.0
  La  La5  1  0.000  0.340  0.660  1.0
  La  La6  1  0.340  0.660  0.000  1.0
  La  La7  1  0.340  0.000  0.660  1.0
  La  La8  1  0.340  0.000  0.000  1.0
  La  La9  1  0.000  0.000  0.660  1.0
  La  La10  1  0.000  0.660  0.000  1.0
  La  La11  1  0.660  0.000  0.000  1.0
  La  La12  1  0.635  0.635  0.095  1.0
  La  La13  1  0.635  0.095  0.635  1.0
  La  La14  1  0.095  0.635  0.635  1.0
  La  La15  1  0.635  0.635  0.635  1.0
  La  La16  1  0.365  0.365  0.905  1.0
  La  La17  1  0.365  0.905  0.365  1.0
  La  La18  1  0.905  0.365  0.365  1.0
  La  La19  1  0.365  0.365  0.365  1.0
  La  La20  1  0.500  0.500  0.500  1.0
  Mn  Mn21  1  0.802  0.802  0.594  1.0
  Mn  Mn22  1  0.802  0.594  0.802  1.0
  Mn  Mn23  1  0.594  0.802  0.802  1.0
  Mn  Mn24  1  0.802  0.802  0.802  1.0
  Mn  Mn25  1  0.198  0.198  0.406  1.0
  Mn  Mn26  1  0.198  0.406  0.198  1.0
  Mn  Mn27  1  0.406  0.198  0.198  1.0
  Mn  Mn28  1  0.198  0.198  0.198  1.0
  Sb  Sb29  1  0.709  0.709  0.291  1.0
  Sb  Sb30  1  0.291  0.709  0.291  1.0
  Sb  Sb31  1  0.709  0.291  0.291  1.0
  Sb  Sb32  1  0.291  0.291  0.709  1.0
  Sb  Sb33  1  0.709  0.291  0.709  1.0
  Sb  Sb34  1  0.291  0.709  0.709  1.0
  Sb  Sb35  1  0.000  0.000  0.000  1.0
  C  C36  1  0.894  0.894  0.606  1.0
  C  C37  1  0.606  0.894  0.606  1.0
  C  C38  1  0.894  0.606  0.606  1.0
  C  C39  1  0.606  0.606  0.894  1.0
  C  C40  1  0.894  0.606  0.894  1.0
  C  C41  1  0.606  0.894  0.894  1.0
  C  C42  1  0.106  0.106  0.394  1.0
  C  C43  1  0.394  0.106  0.394  1.0
  C  C44  1  0.106  0.394  0.394  1.0
  C  C45  1  0.394  0.394  0.106  1.0
  C  C46  1  0.106  0.394  0.106  1.0
  C  C47  1  0.394  0.106  0.106  1.0
[/CIF]
.