The material described by Dy2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. In the second Dy site, Dy(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. Re(1) is bonded in a distorted trigonal planar geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), and two equivalent Re(1) atoms to form CDy4Re2 octahedra that share corners with two equivalent C(1)Dy4Re2 octahedra, corners with two equivalent C(2)Dy5Re octahedra, edges with two equivalent C(1)Dy4Re2 octahedra, and edges with five equivalent C(2)Dy5Re octahedra. The corner-sharing octahedral tilt angles range from 11-39°. In the second C site, C(2) is bonded to two equivalent Dy(2), three equivalent Dy(1), and one Re(1) atom to form CDy5Re octahedra that share corners with two equivalent C(1)Dy4Re2 octahedra, corners with four equivalent C(2)Dy5Re octahedra, edges with two equivalent C(2)Dy5Re octahedra, and edges with five equivalent C(1)Dy4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   6.570
_cell_length_c   9.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.079
_cell_formula_units_Z   4
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  0.250  0.818  0.945  1.0
  Dy  Dy1  1  0.250  0.318  0.555  1.0
  Dy  Dy2  1  0.750  0.182  0.055  1.0
  Dy  Dy3  1  0.750  0.682  0.445  1.0
  Dy  Dy4  1  0.250  0.468  0.217  1.0
  Dy  Dy5  1  0.250  0.968  0.283  1.0
  Dy  Dy6  1  0.750  0.532  0.783  1.0
  Dy  Dy7  1  0.750  0.032  0.717  1.0
  Re  Re8  1  0.250  0.278  0.866  1.0
  Re  Re9  1  0.250  0.778  0.634  1.0
  Re  Re10  1  0.750  0.722  0.134  1.0
  Re  Re11  1  0.750  0.222  0.366  1.0
  C  C12  1  0.250  0.045  0.741  1.0
  C  C13  1  0.250  0.545  0.759  1.0
  C  C14  1  0.750  0.955  0.259  1.0
  C  C15  1  0.750  0.455  0.241  1.0
  C  C16  1  0.250  0.677  0.450  1.0
  C  C17  1  0.250  0.177  0.050  1.0
  C  C18  1  0.750  0.323  0.550  1.0
  C  C19  1  0.750  0.823  0.950  1.0
[/CIF]
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The material described by Dy2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. In the second Dy site, Dy(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. Re(1) is bonded in a distorted trigonal planar geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), and two equivalent Re(1) atoms to form CDy4Re2 octahedra that share corners with two equivalent C(1)Dy4Re2 octahedra, corners with two equivalent C(2)Dy5Re octahedra, edges with two equivalent C(1)Dy4Re2 octahedra, and edges with five equivalent C(2)Dy5Re octahedra. The corner-sharing octahedral tilt angles range from 11-39°. In the second C site, C(2) is bonded to two equivalent Dy(2), three equivalent Dy(1), and one Re(1) atom to form CDy5Re octahedra that share corners with two equivalent C(1)Dy4Re2 octahedra, corners with four equivalent C(2)Dy5Re octahedra, edges with two equivalent C(2)Dy5Re octahedra, and edges with five equivalent C(1)Dy4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   6.570
_cell_length_c   9.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.079
_cell_formula_units_Z   4
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  0.250  0.818  0.945  1.0
  Dy  Dy1  1  0.250  0.318  0.555  1.0
  Dy  Dy2  1  0.750  0.182  0.055  1.0
  Dy  Dy3  1  0.750  0.682  0.445  1.0
  Dy  Dy4  1  0.250  0.468  0.217  1.0
  Dy  Dy5  1  0.250  0.968  0.283  1.0
  Dy  Dy6  1  0.750  0.532  0.783  1.0
  Dy  Dy7  1  0.750  0.032  0.717  1.0
  Re  Re8  1  0.250  0.278  0.866  1.0
  Re  Re9  1  0.250  0.778  0.634  1.0
  Re  Re10  1  0.750  0.722  0.134  1.0
  Re  Re11  1  0.750  0.222  0.366  1.0
  C  C12  1  0.250  0.045  0.741  1.0
  C  C13  1  0.250  0.545  0.759  1.0
  C  C14  1  0.750  0.955  0.259  1.0
  C  C15  1  0.750  0.455  0.241  1.0
  C  C16  1  0.250  0.677  0.450  1.0
  C  C17  1  0.250  0.177  0.050  1.0
  C  C18  1  0.750  0.323  0.550  1.0
  C  C19  1  0.750  0.823  0.950  1.0
[/CIF]
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