The crystal structure described by Er2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Er site, Er(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Er(1), three equivalent Er(2), and one Re(1) atom to form CEr5Re octahedra that share corners with two equivalent C(2)Er4Re2 octahedra, corners with four equivalent C(1)Er5Re octahedra, edges with two equivalent C(1)Er5Re octahedra, and edges with five equivalent C(2)Er4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-38°. In the second C site, C(2) is bonded to two equivalent Er(1), two equivalent Er(2), and two equivalent Re(1) atoms to form CEr4Re2 octahedra that share corners with two equivalent C(2)Er4Re2 octahedra, corners with two equivalent C(1)Er5Re octahedra, edges with two equivalent C(2)Er4Re2 octahedra, and edges with five equivalent C(1)Er5Re octahedra. The corner-sharing octahedral tilt angles range from 12-38°. is represented by the CIF file [CIF]
data_Er2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   6.514
_cell_length_c   9.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.313
_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
  Er  Er0  1  0.750  0.535  0.784  1.0
  Er  Er1  1  0.250  0.965  0.284  1.0
  Er  Er2  1  0.750  0.677  0.442  1.0
  Er  Er3  1  0.250  0.823  0.942  1.0
  Er  Er4  1  0.750  0.177  0.058  1.0
  Er  Er5  1  0.250  0.323  0.558  1.0
  Er  Er6  1  0.250  0.465  0.216  1.0
  Er  Er7  1  0.750  0.035  0.716  1.0
  Re  Re8  1  0.250  0.282  0.868  1.0
  Re  Re9  1  0.250  0.782  0.632  1.0
  Re  Re10  1  0.750  0.218  0.368  1.0
  Re  Re11  1  0.750  0.718  0.132  1.0
  C  C12  1  0.250  0.675  0.449  1.0
  C  C13  1  0.250  0.550  0.759  1.0
  C  C14  1  0.750  0.450  0.241  1.0
  C  C15  1  0.750  0.825  0.949  1.0
  C  C16  1  0.250  0.050  0.741  1.0
  C  C17  1  0.250  0.175  0.051  1.0
  C  C18  1  0.750  0.325  0.551  1.0
  C  C19  1  0.750  0.950  0.259  1.0
[/CIF]
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The crystal structure described by Er2ReC2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. In the second Er site, Er(2) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Er(1), three equivalent Er(2), and one Re(1) atom to form CEr5Re octahedra that share corners with two equivalent C(2)Er4Re2 octahedra, corners with four equivalent C(1)Er5Re octahedra, edges with two equivalent C(1)Er5Re octahedra, and edges with five equivalent C(2)Er4Re2 octahedra. The corner-sharing octahedral tilt angles range from 3-38°. In the second C site, C(2) is bonded to two equivalent Er(1), two equivalent Er(2), and two equivalent Re(1) atoms to form CEr4Re2 octahedra that share corners with two equivalent C(2)Er4Re2 octahedra, corners with two equivalent C(1)Er5Re octahedra, edges with two equivalent C(2)Er4Re2 octahedra, and edges with five equivalent C(1)Er5Re octahedra. The corner-sharing octahedral tilt angles range from 12-38°. is represented by the CIF file [CIF]
data_Er2ReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   6.514
_cell_length_c   9.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.313
_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
  Er  Er0  1  0.750  0.535  0.784  1.0
  Er  Er1  1  0.250  0.965  0.284  1.0
  Er  Er2  1  0.750  0.677  0.442  1.0
  Er  Er3  1  0.250  0.823  0.942  1.0
  Er  Er4  1  0.750  0.177  0.058  1.0
  Er  Er5  1  0.250  0.323  0.558  1.0
  Er  Er6  1  0.250  0.465  0.216  1.0
  Er  Er7  1  0.750  0.035  0.716  1.0
  Re  Re8  1  0.250  0.282  0.868  1.0
  Re  Re9  1  0.250  0.782  0.632  1.0
  Re  Re10  1  0.750  0.218  0.368  1.0
  Re  Re11  1  0.750  0.718  0.132  1.0
  C  C12  1  0.250  0.675  0.449  1.0
  C  C13  1  0.250  0.550  0.759  1.0
  C  C14  1  0.750  0.450  0.241  1.0
  C  C15  1  0.750  0.825  0.949  1.0
  C  C16  1  0.250  0.050  0.741  1.0
  C  C17  1  0.250  0.175  0.051  1.0
  C  C18  1  0.750  0.325  0.551  1.0
  C  C19  1  0.750  0.950  0.259  1.0
[/CIF]
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