The crystal structure described by ThErCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form ThC4N2 octahedra that share corners with six equivalent Th(1)C4N2 octahedra, edges with four equivalent Th(1)C4N2 octahedra, and edges with eight equivalent Er(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. Er(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form ErC2N4 octahedra that share corners with six equivalent Er(1)C2N4 octahedra, edges with four equivalent Er(1)C2N4 octahedra, and edges with eight equivalent Th(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to four equivalent Th(1) and two equivalent Er(1) atoms to form CEr2Th4 octahedra that share corners with six equivalent C(1)Er2Th4 octahedra, edges with four equivalent C(1)Er2Th4 octahedra, and edges with eight equivalent N(1)Er4Th2 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Th(1) and four equivalent Er(1) atoms to form NEr4Th2 octahedra that share corners with six equivalent N(1)Er4Th2 octahedra, edges with four equivalent N(1)Er4Th2 octahedra, and edges with eight equivalent C(1)Er2Th4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.648
_cell_length_b   3.648
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.556
_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
  Er  Er0  1  0.000  0.000  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  C  C2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by ThErCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form ThC4N2 octahedra that share corners with six equivalent Th(1)C4N2 octahedra, edges with four equivalent Th(1)C4N2 octahedra, and edges with eight equivalent Er(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. Er(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form ErC2N4 octahedra that share corners with six equivalent Er(1)C2N4 octahedra, edges with four equivalent Er(1)C2N4 octahedra, and edges with eight equivalent Th(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to four equivalent Th(1) and two equivalent Er(1) atoms to form CEr2Th4 octahedra that share corners with six equivalent C(1)Er2Th4 octahedra, edges with four equivalent C(1)Er2Th4 octahedra, and edges with eight equivalent N(1)Er4Th2 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Th(1) and four equivalent Er(1) atoms to form NEr4Th2 octahedra that share corners with six equivalent N(1)Er4Th2 octahedra, edges with four equivalent N(1)Er4Th2 octahedra, and edges with eight equivalent C(1)Er2Th4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.648
_cell_length_b   3.648
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.556
_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
  Er  Er0  1  0.000  0.000  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  C  C2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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