The structure described by Lu12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Lu site, Lu(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LuC5 square pyramids. In the third Lu site, Lu(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 Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(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 Lu(2), two equivalent Lu(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Mn(1) atoms to form CLu4Mn2 octahedra that share corners with four equivalent C(2)Lu4Mn2 octahedra and edges with four equivalent C(4)Lu5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Lu(2), two equivalent Lu(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), and one Mn(2) atom to form distorted CLu5Mn octahedra that share corners with five equivalent C(4)Lu5Mn octahedra, edges with two equivalent C(2)Lu4Mn2 octahedra, and edges with three equivalent C(4)Lu5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-44°. is represented by the CIF file [CIF]
data_Lu12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.824
_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
  Lu  Lu0  1  0.500  0.207  0.207  1.0
  Lu  Lu1  1  0.500  0.000  0.793  1.0
  Lu  Lu2  1  0.500  0.793  0.000  1.0
  Lu  Lu3  1  0.000  0.731  0.185  1.0
  Lu  Lu4  1  0.000  0.455  0.269  1.0
  Lu  Lu5  1  0.000  0.545  0.815  1.0
  Lu  Lu6  1  0.000  0.815  0.545  1.0
  Lu  Lu7  1  0.000  0.185  0.731  1.0
  Lu  Lu8  1  0.000  0.269  0.455  1.0
  Lu  Lu9  1  0.500  0.569  0.569  1.0
  Lu  Lu10  1  0.500  0.000  0.431  1.0
  Lu  Lu11  1  0.500  0.431  0.000  1.0
  Mn  Mn12  1  0.000  0.847  0.847  1.0
  Mn  Mn13  1  0.000  0.000  0.153  1.0
  Mn  Mn14  1  0.000  0.153  0.000  1.0
  Mn  Mn15  1  0.500  0.667  0.333  1.0
  Mn  Mn16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.673  0.673  1.0
  C  C18  1  0.000  0.000  0.327  1.0
  C  C19  1  0.000  0.327  0.000  1.0
  C  C20  1  0.000  0.206  0.206  1.0
  C  C21  1  0.000  0.000  0.794  1.0
  C  C22  1  0.000  0.794  0.000  1.0
  C  C23  1  0.000  0.541  0.541  1.0
  C  C24  1  0.000  0.000  0.459  1.0
  C  C25  1  0.000  0.459  0.000  1.0
  C  C26  1  0.500  0.718  0.191  1.0
  C  C27  1  0.500  0.473  0.282  1.0
  C  C28  1  0.500  0.527  0.809  1.0
  C  C29  1  0.500  0.809  0.527  1.0
  C  C30  1  0.500  0.191  0.718  1.0
  C  C31  1  0.500  0.282  0.473  1.0
[/CIF]
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The structure described by Lu12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Lu site, Lu(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing LuC5 square pyramids. In the third Lu site, Lu(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 Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(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 Lu(2), two equivalent Lu(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Mn(1) atoms to form CLu4Mn2 octahedra that share corners with four equivalent C(2)Lu4Mn2 octahedra and edges with four equivalent C(4)Lu5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Lu(2), two equivalent Lu(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), and one Mn(2) atom to form distorted CLu5Mn octahedra that share corners with five equivalent C(4)Lu5Mn octahedra, edges with two equivalent C(2)Lu4Mn2 octahedra, and edges with three equivalent C(4)Lu5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-44°. is represented by the CIF file [CIF]
data_Lu12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   10.284
_cell_length_c   10.284
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.824
_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
  Lu  Lu0  1  0.500  0.207  0.207  1.0
  Lu  Lu1  1  0.500  0.000  0.793  1.0
  Lu  Lu2  1  0.500  0.793  0.000  1.0
  Lu  Lu3  1  0.000  0.731  0.185  1.0
  Lu  Lu4  1  0.000  0.455  0.269  1.0
  Lu  Lu5  1  0.000  0.545  0.815  1.0
  Lu  Lu6  1  0.000  0.815  0.545  1.0
  Lu  Lu7  1  0.000  0.185  0.731  1.0
  Lu  Lu8  1  0.000  0.269  0.455  1.0
  Lu  Lu9  1  0.500  0.569  0.569  1.0
  Lu  Lu10  1  0.500  0.000  0.431  1.0
  Lu  Lu11  1  0.500  0.431  0.000  1.0
  Mn  Mn12  1  0.000  0.847  0.847  1.0
  Mn  Mn13  1  0.000  0.000  0.153  1.0
  Mn  Mn14  1  0.000  0.153  0.000  1.0
  Mn  Mn15  1  0.500  0.667  0.333  1.0
  Mn  Mn16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.673  0.673  1.0
  C  C18  1  0.000  0.000  0.327  1.0
  C  C19  1  0.000  0.327  0.000  1.0
  C  C20  1  0.000  0.206  0.206  1.0
  C  C21  1  0.000  0.000  0.794  1.0
  C  C22  1  0.000  0.794  0.000  1.0
  C  C23  1  0.000  0.541  0.541  1.0
  C  C24  1  0.000  0.000  0.459  1.0
  C  C25  1  0.000  0.459  0.000  1.0
  C  C26  1  0.500  0.718  0.191  1.0
  C  C27  1  0.500  0.473  0.282  1.0
  C  C28  1  0.500  0.527  0.809  1.0
  C  C29  1  0.500  0.809  0.527  1.0
  C  C30  1  0.500  0.191  0.718  1.0
  C  C31  1  0.500  0.282  0.473  1.0
[/CIF]
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