The crystal structure described by CaRuN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Ru(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ru(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. Ru(1) is bonded to six equivalent N(1) atoms to form RuN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ru(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to three equivalent Ca(1) and three equivalent Ru(1) atoms to form a mixture of corner and edge-sharing NCa3Ru3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaRuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   5.472
_cell_length_c   5.472
_cell_angle_alpha   34.273
_cell_angle_beta   34.273
_cell_angle_gamma   34.273
_symmetry_Int_Tables_number   1
_cell_volume   46.331
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.767  1.0
  N  N3  1  0.233  0.233  0.233  1.0
[/CIF]
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The crystal structure described by CaRuN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Ru(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ru(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. Ru(1) is bonded to six equivalent N(1) atoms to form RuN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ru(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to three equivalent Ca(1) and three equivalent Ru(1) atoms to form a mixture of corner and edge-sharing NCa3Ru3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaRuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   5.472
_cell_length_c   5.472
_cell_angle_alpha   34.273
_cell_angle_beta   34.273
_cell_angle_gamma   34.273
_symmetry_Int_Tables_number   1
_cell_volume   46.331
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.767  1.0
  N  N3  1  0.233  0.233  0.233  1.0
[/CIF]
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