The material described by Y12(OsC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Y site, Y(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form distorted YC5 square pyramids that share corners with three equivalent Y(2)C5 square pyramids,  a cornercorner with one C(3)Y4C trigonal bipyramid, and  an edgeedge with one Y(2)C5 square pyramid. In the third Y site, Y(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 Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Os site, Os(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 Y(2), two equivalent Y(3), one Os(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Os(1) atoms to form CY4Os2 octahedra that share corners with four equivalent C(2)Y4Os2 octahedra, edges with four equivalent C(4)Y5Os octahedra, and  an edgeedge with one C(3)Y4C trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-36°. In the third C site, C(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one C(1) atom to form distorted CY4C trigonal bipyramids that share corners with four equivalent C(4)Y5Os octahedra, corners with two equivalent Y(2)C5 square pyramids, corners with two equivalent C(3)Y4C trigonal bipyramids,  an edgeedge with one C(2)Y4Os2 octahedra, and edges with four equivalent C(4)Y5Os octahedra. The corner-sharing octahedral tilt angles are 88°. In the fourth C site, C(4) is bonded to one Y(1), two equivalent Y(2), two equivalent Y(3), and one Os(2) atom to form CY5Os octahedra that share corners with five equivalent C(4)Y5Os octahedra, corners with two equivalent C(3)Y4C trigonal bipyramids, edges with two equivalent C(2)Y4Os2 octahedra, edges with three equivalent C(4)Y5Os octahedra, and edges with two equivalent C(3)Y4C trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-47°. is represented by the CIF file [CIF]
data_Y12(OsC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   10.719
_cell_length_c   10.719
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.660
_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
  Y  Y0  1  0.500  0.207  0.207  1.0
  Y  Y1  1  0.500  0.000  0.793  1.0
  Y  Y2  1  0.500  0.793  1.000  1.0
  Y  Y3  1  0.000  0.728  0.184  1.0
  Y  Y4  1  0.000  0.456  0.272  1.0
  Y  Y5  1  0.000  0.544  0.816  1.0
  Y  Y6  1  0.000  0.816  0.544  1.0
  Y  Y7  1  0.000  0.184  0.728  1.0
  Y  Y8  1  0.000  0.272  0.456  1.0
  Y  Y9  1  0.500  0.565  0.565  1.0
  Y  Y10  1  0.500  0.000  0.435  1.0
  Y  Y11  1  0.500  0.435  1.000  1.0
  Os  Os12  1  1.000  0.839  0.839  1.0
  Os  Os13  1  1.000  0.000  0.161  1.0
  Os  Os14  1  0.000  0.161  1.000  1.0
  Os  Os15  1  0.500  0.667  0.333  1.0
  Os  Os16  1  0.500  0.333  0.667  1.0
  C  C17  1  1.000  0.665  0.665  1.0
  C  C18  1  1.000  0.000  0.335  1.0
  C  C19  1  1.000  0.335  1.000  1.0
  C  C20  1  1.000  0.207  0.207  1.0
  C  C21  1  1.000  0.000  0.793  1.0
  C  C22  1  1.000  0.793  0.000  1.0
  C  C23  1  0.000  0.540  0.540  1.0
  C  C24  1  0.000  0.000  0.460  1.0
  C  C25  1  0.000  0.460  1.000  1.0
  C  C26  1  0.500  0.717  0.186  1.0
  C  C27  1  0.500  0.469  0.283  1.0
  C  C28  1  0.500  0.531  0.814  1.0
  C  C29  1  0.500  0.814  0.531  1.0
  C  C30  1  0.500  0.186  0.717  1.0
  C  C31  1  0.500  0.283  0.469  1.0
[/CIF]
.
The material described by Y12(OsC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Y site, Y(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form distorted YC5 square pyramids that share corners with three equivalent Y(2)C5 square pyramids,  a cornercorner with one C(3)Y4C trigonal bipyramid, and  an edgeedge with one Y(2)C5 square pyramid. In the third Y site, Y(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 Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Os site, Os(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 Y(2), two equivalent Y(3), one Os(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Os(1) atoms to form CY4Os2 octahedra that share corners with four equivalent C(2)Y4Os2 octahedra, edges with four equivalent C(4)Y5Os octahedra, and  an edgeedge with one C(3)Y4C trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-36°. In the third C site, C(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one C(1) atom to form distorted CY4C trigonal bipyramids that share corners with four equivalent C(4)Y5Os octahedra, corners with two equivalent Y(2)C5 square pyramids, corners with two equivalent C(3)Y4C trigonal bipyramids,  an edgeedge with one C(2)Y4Os2 octahedra, and edges with four equivalent C(4)Y5Os octahedra. The corner-sharing octahedral tilt angles are 88°. In the fourth C site, C(4) is bonded to one Y(1), two equivalent Y(2), two equivalent Y(3), and one Os(2) atom to form CY5Os octahedra that share corners with five equivalent C(4)Y5Os octahedra, corners with two equivalent C(3)Y4C trigonal bipyramids, edges with two equivalent C(2)Y4Os2 octahedra, edges with three equivalent C(4)Y5Os octahedra, and edges with two equivalent C(3)Y4C trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-47°. is represented by the CIF file [CIF]
data_Y12(OsC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   10.719
_cell_length_c   10.719
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.660
_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
  Y  Y0  1  0.500  0.207  0.207  1.0
  Y  Y1  1  0.500  0.000  0.793  1.0
  Y  Y2  1  0.500  0.793  1.000  1.0
  Y  Y3  1  0.000  0.728  0.184  1.0
  Y  Y4  1  0.000  0.456  0.272  1.0
  Y  Y5  1  0.000  0.544  0.816  1.0
  Y  Y6  1  0.000  0.816  0.544  1.0
  Y  Y7  1  0.000  0.184  0.728  1.0
  Y  Y8  1  0.000  0.272  0.456  1.0
  Y  Y9  1  0.500  0.565  0.565  1.0
  Y  Y10  1  0.500  0.000  0.435  1.0
  Y  Y11  1  0.500  0.435  1.000  1.0
  Os  Os12  1  1.000  0.839  0.839  1.0
  Os  Os13  1  1.000  0.000  0.161  1.0
  Os  Os14  1  0.000  0.161  1.000  1.0
  Os  Os15  1  0.500  0.667  0.333  1.0
  Os  Os16  1  0.500  0.333  0.667  1.0
  C  C17  1  1.000  0.665  0.665  1.0
  C  C18  1  1.000  0.000  0.335  1.0
  C  C19  1  1.000  0.335  1.000  1.0
  C  C20  1  1.000  0.207  0.207  1.0
  C  C21  1  1.000  0.000  0.793  1.0
  C  C22  1  1.000  0.793  0.000  1.0
  C  C23  1  0.000  0.540  0.540  1.0
  C  C24  1  0.000  0.000  0.460  1.0
  C  C25  1  0.000  0.460  1.000  1.0
  C  C26  1  0.500  0.717  0.186  1.0
  C  C27  1  0.500  0.469  0.283  1.0
  C  C28  1  0.500  0.531  0.814  1.0
  C  C29  1  0.500  0.814  0.531  1.0
  C  C30  1  0.500  0.186  0.717  1.0
  C  C31  1  0.500  0.283  0.469  1.0
[/CIF]
.