The material described by Dy15(Fe4C13)2 crystallizes in the trigonal P321 space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one C(1), one C(3), two equivalent C(2), and three equivalent C(4) atoms. In the second Dy site, Dy(2) is bonded in a 5-coordinate geometry to one C(1), two equivalent C(2), and two equivalent C(4) atoms. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to two equivalent C(1), two equivalent C(3), and two equivalent C(5) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(3) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent C(3) and two equivalent C(5) atoms. In the third Fe site, Fe(3) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. There are five inequivalent C sites. In the first C site, C(3) is bonded in a 5-coordinate geometry to one Dy(1), one Dy(3), one Fe(1), one Fe(2), and one C(4) atom. In the second C site, C(4) is bonded to two equivalent Dy(2), three equivalent Dy(1), and one C(3) atom to form a mixture of edge and corner-sharing CDy5C octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the third C site, C(5) is bonded to three equivalent Dy(3) and three equivalent Fe(2) atoms to form face-sharing CDy3Fe3 octahedra. In the fourth C site, C(1) is bonded in a 1-coordinate geometry to one Dy(1), one Dy(2), one Dy(3), one Fe(1), and one C(2) atom. In the fifth C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), one Fe(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy15(Fe4C13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   11.920
_cell_length_c   11.916
_cell_angle_alpha   119.981
_cell_angle_beta   89.991
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   632.723
_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
  Dy  Dy0  1  0.254  0.116  0.712  1.0
  Dy  Dy1  1  0.254  0.288  0.404  1.0
  Dy  Dy2  1  0.254  0.596  0.884  1.0
  Dy  Dy3  1  0.746  0.884  0.596  1.0
  Dy  Dy4  1  0.746  0.404  0.288  1.0
  Dy  Dy5  1  0.746  0.712  0.116  1.0
  Dy  Dy6  1  0.243  0.631  0.486  1.0
  Dy  Dy7  1  0.243  0.514  0.145  1.0
  Dy  Dy8  1  0.243  0.855  0.369  1.0
  Dy  Dy9  1  0.757  0.369  0.855  1.0
  Dy  Dy10  1  0.757  0.145  0.513  1.0
  Dy  Dy11  1  0.757  0.486  0.631  1.0
  Dy  Dy12  1  0.500  0.833  0.833  1.0
  Dy  Dy13  1  0.500  0.167  0.000  1.0
  Dy  Dy14  1  0.500  1.000  0.167  1.0
  Fe  Fe15  1  0.000  0.742  0.742  1.0
  Fe  Fe16  1  0.000  0.258  0.000  1.0
  Fe  Fe17  1  1.000  0.000  0.258  1.0
  Fe  Fe18  1  1.000  0.129  0.129  1.0
  Fe  Fe19  1  0.000  0.871  0.000  1.0
  Fe  Fe20  1  1.000  0.000  0.871  1.0
  Fe  Fe21  1  0.267  0.333  0.667  1.0
  Fe  Fe22  1  0.733  0.667  0.333  1.0
  C  C23  1  0.229  0.319  0.920  1.0
  C  C24  1  0.229  0.080  0.399  1.0
  C  C25  1  0.229  0.601  0.681  1.0
  C  C26  1  0.771  0.681  0.601  1.0
  C  C27  1  0.771  0.399  0.080  1.0
  C  C28  1  0.771  0.920  0.319  1.0
  C  C29  1  0.259  0.359  0.832  1.0
  C  C30  1  0.259  0.168  0.527  1.0
  C  C31  1  0.259  0.473  0.641  1.0
  C  C32  1  0.741  0.641  0.473  1.0
  C  C33  1  0.741  0.527  0.168  1.0
  C  C34  1  0.741  0.832  0.359  1.0
  C  C35  1  0.176  0.881  0.701  1.0
  C  C36  1  0.176  0.299  0.180  1.0
  C  C37  1  0.176  0.820  0.119  1.0
  C  C38  1  0.824  0.119  0.820  1.0
  C  C39  1  0.824  0.180  0.299  1.0
  C  C40  1  0.825  0.701  0.881  1.0
  C  C41  1  0.235  0.875  0.584  1.0
  C  C42  1  0.235  0.416  0.291  1.0
  C  C43  1  0.235  0.709  0.125  1.0
  C  C44  1  0.765  0.125  0.709  1.0
  C  C45  1  0.765  0.291  0.416  1.0
  C  C46  1  0.765  0.585  0.875  1.0
  C  C47  1  0.223  1.000  1.000  1.0
  C  C48  1  0.777  1.000  0.000  1.0
[/CIF]
.
The material described by Dy15(Fe4C13)2 crystallizes in the trigonal P321 space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one C(1), one C(3), two equivalent C(2), and three equivalent C(4) atoms. In the second Dy site, Dy(2) is bonded in a 5-coordinate geometry to one C(1), two equivalent C(2), and two equivalent C(4) atoms. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to two equivalent C(1), two equivalent C(3), and two equivalent C(5) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(3) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent C(3) and two equivalent C(5) atoms. In the third Fe site, Fe(3) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. There are five inequivalent C sites. In the first C site, C(3) is bonded in a 5-coordinate geometry to one Dy(1), one Dy(3), one Fe(1), one Fe(2), and one C(4) atom. In the second C site, C(4) is bonded to two equivalent Dy(2), three equivalent Dy(1), and one C(3) atom to form a mixture of edge and corner-sharing CDy5C octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the third C site, C(5) is bonded to three equivalent Dy(3) and three equivalent Fe(2) atoms to form face-sharing CDy3Fe3 octahedra. In the fourth C site, C(1) is bonded in a 1-coordinate geometry to one Dy(1), one Dy(2), one Dy(3), one Fe(1), and one C(2) atom. In the fifth C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), one Fe(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy15(Fe4C13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   11.920
_cell_length_c   11.916
_cell_angle_alpha   119.981
_cell_angle_beta   89.991
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   632.723
_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
  Dy  Dy0  1  0.254  0.116  0.712  1.0
  Dy  Dy1  1  0.254  0.288  0.404  1.0
  Dy  Dy2  1  0.254  0.596  0.884  1.0
  Dy  Dy3  1  0.746  0.884  0.596  1.0
  Dy  Dy4  1  0.746  0.404  0.288  1.0
  Dy  Dy5  1  0.746  0.712  0.116  1.0
  Dy  Dy6  1  0.243  0.631  0.486  1.0
  Dy  Dy7  1  0.243  0.514  0.145  1.0
  Dy  Dy8  1  0.243  0.855  0.369  1.0
  Dy  Dy9  1  0.757  0.369  0.855  1.0
  Dy  Dy10  1  0.757  0.145  0.513  1.0
  Dy  Dy11  1  0.757  0.486  0.631  1.0
  Dy  Dy12  1  0.500  0.833  0.833  1.0
  Dy  Dy13  1  0.500  0.167  0.000  1.0
  Dy  Dy14  1  0.500  1.000  0.167  1.0
  Fe  Fe15  1  0.000  0.742  0.742  1.0
  Fe  Fe16  1  0.000  0.258  0.000  1.0
  Fe  Fe17  1  1.000  0.000  0.258  1.0
  Fe  Fe18  1  1.000  0.129  0.129  1.0
  Fe  Fe19  1  0.000  0.871  0.000  1.0
  Fe  Fe20  1  1.000  0.000  0.871  1.0
  Fe  Fe21  1  0.267  0.333  0.667  1.0
  Fe  Fe22  1  0.733  0.667  0.333  1.0
  C  C23  1  0.229  0.319  0.920  1.0
  C  C24  1  0.229  0.080  0.399  1.0
  C  C25  1  0.229  0.601  0.681  1.0
  C  C26  1  0.771  0.681  0.601  1.0
  C  C27  1  0.771  0.399  0.080  1.0
  C  C28  1  0.771  0.920  0.319  1.0
  C  C29  1  0.259  0.359  0.832  1.0
  C  C30  1  0.259  0.168  0.527  1.0
  C  C31  1  0.259  0.473  0.641  1.0
  C  C32  1  0.741  0.641  0.473  1.0
  C  C33  1  0.741  0.527  0.168  1.0
  C  C34  1  0.741  0.832  0.359  1.0
  C  C35  1  0.176  0.881  0.701  1.0
  C  C36  1  0.176  0.299  0.180  1.0
  C  C37  1  0.176  0.820  0.119  1.0
  C  C38  1  0.824  0.119  0.820  1.0
  C  C39  1  0.824  0.180  0.299  1.0
  C  C40  1  0.825  0.701  0.881  1.0
  C  C41  1  0.235  0.875  0.584  1.0
  C  C42  1  0.235  0.416  0.291  1.0
  C  C43  1  0.235  0.709  0.125  1.0
  C  C44  1  0.765  0.125  0.709  1.0
  C  C45  1  0.765  0.291  0.416  1.0
  C  C46  1  0.765  0.585  0.875  1.0
  C  C47  1  0.223  1.000  1.000  1.0
  C  C48  1  0.777  1.000  0.000  1.0
[/CIF]
.