The material structure described by La12Re5C15 crystallizes in the hexagonal P-62m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second La site, La(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LaC6 square pyramids. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent La(2), two equivalent La(3), one Re(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Re(1) atoms to form CLa4Re2 octahedra that share corners with four equivalent C(2)La4Re2 octahedra and edges with four equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent La(3), four equivalent La(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one La(1), two equivalent La(2), two equivalent La(3), and one Re(2) atom to form distorted CLa5Re octahedra that share corners with five equivalent C(4)La5Re octahedra, edges with two equivalent C(2)La4Re2 octahedra, and edges with three equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°. is represented by the CIF file [CIF]
data_La12(ReC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.194
_cell_length_b   11.194
_cell_length_c   5.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   593.954
_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  0.795  1.000  0.500  1.0
  La  La1  1  1.000  0.795  0.500  1.0
  La  La2  1  0.205  0.205  0.500  1.0
  La  La3  1  0.271  0.457  0.000  1.0
  La  La4  1  0.543  0.813  0.000  1.0
  La  La5  1  0.457  0.271  0.000  1.0
  La  La6  1  0.187  0.729  0.000  1.0
  La  La7  1  0.813  0.543  0.000  1.0
  La  La8  1  0.729  0.187  0.000  1.0
  La  La9  1  0.419  1.000  0.500  1.0
  La  La10  1  1.000  0.419  0.500  1.0
  La  La11  1  0.581  0.581  0.500  1.0
  Re  Re12  1  0.152  0.000  0.000  1.0
  Re  Re13  1  1.000  0.152  0.000  1.0
  Re  Re14  1  0.848  0.848  0.000  1.0
  Re  Re15  1  0.333  0.667  0.500  1.0
  Re  Re16  1  0.667  0.333  0.500  1.0
  C  C17  1  0.324  1.000  0.000  1.0
  C  C18  1  1.000  0.324  0.000  1.0
  C  C19  1  0.676  0.676  0.000  1.0
  C  C20  1  0.797  1.000  0.000  1.0
  C  C21  1  1.000  0.797  0.000  1.0
  C  C22  1  0.203  0.203  0.000  1.0
  C  C23  1  0.445  1.000  0.000  1.0
  C  C24  1  1.000  0.445  0.000  1.0
  C  C25  1  0.555  0.555  0.000  1.0
  C  C26  1  0.289  0.479  0.500  1.0
  C  C27  1  0.521  0.810  0.500  1.0
  C  C28  1  0.479  0.289  0.500  1.0
  C  C29  1  0.190  0.711  0.500  1.0
  C  C30  1  0.810  0.521  0.500  1.0
  C  C31  1  0.711  0.190  0.500  1.0
[/CIF]
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The material structure described by La12Re5C15 crystallizes in the hexagonal P-62m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second La site, La(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LaC6 square pyramids. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent La(2), two equivalent La(3), one Re(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Re(1) atoms to form CLa4Re2 octahedra that share corners with four equivalent C(2)La4Re2 octahedra and edges with four equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent La(3), four equivalent La(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one La(1), two equivalent La(2), two equivalent La(3), and one Re(2) atom to form distorted CLa5Re octahedra that share corners with five equivalent C(4)La5Re octahedra, edges with two equivalent C(2)La4Re2 octahedra, and edges with three equivalent C(4)La5Re octahedra. The corner-sharing octahedral tilt angles range from 10-37°. is represented by the CIF file [CIF]
data_La12(ReC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.194
_cell_length_b   11.194
_cell_length_c   5.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   593.954
_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  0.795  1.000  0.500  1.0
  La  La1  1  1.000  0.795  0.500  1.0
  La  La2  1  0.205  0.205  0.500  1.0
  La  La3  1  0.271  0.457  0.000  1.0
  La  La4  1  0.543  0.813  0.000  1.0
  La  La5  1  0.457  0.271  0.000  1.0
  La  La6  1  0.187  0.729  0.000  1.0
  La  La7  1  0.813  0.543  0.000  1.0
  La  La8  1  0.729  0.187  0.000  1.0
  La  La9  1  0.419  1.000  0.500  1.0
  La  La10  1  1.000  0.419  0.500  1.0
  La  La11  1  0.581  0.581  0.500  1.0
  Re  Re12  1  0.152  0.000  0.000  1.0
  Re  Re13  1  1.000  0.152  0.000  1.0
  Re  Re14  1  0.848  0.848  0.000  1.0
  Re  Re15  1  0.333  0.667  0.500  1.0
  Re  Re16  1  0.667  0.333  0.500  1.0
  C  C17  1  0.324  1.000  0.000  1.0
  C  C18  1  1.000  0.324  0.000  1.0
  C  C19  1  0.676  0.676  0.000  1.0
  C  C20  1  0.797  1.000  0.000  1.0
  C  C21  1  1.000  0.797  0.000  1.0
  C  C22  1  0.203  0.203  0.000  1.0
  C  C23  1  0.445  1.000  0.000  1.0
  C  C24  1  1.000  0.445  0.000  1.0
  C  C25  1  0.555  0.555  0.000  1.0
  C  C26  1  0.289  0.479  0.500  1.0
  C  C27  1  0.521  0.810  0.500  1.0
  C  C28  1  0.479  0.289  0.500  1.0
  C  C29  1  0.190  0.711  0.500  1.0
  C  C30  1  0.810  0.521  0.500  1.0
  C  C31  1  0.711  0.190  0.500  1.0
[/CIF]
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