The structure described by CaReN2 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 Re(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. Re(1) is bonded to six equivalent N(1) atoms to form ReN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. N(1) is bonded to three equivalent Ca(1) and three equivalent Re(1) atoms to form a mixture of corner and edge-sharing NCa3Re3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaReN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.703
_cell_angle_alpha   32.121
_cell_angle_beta   32.121
_cell_angle_gamma   32.121
_symmetry_Int_Tables_number   1
_cell_volume   46.606
_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
  Re  Re1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.763  0.763  0.763  1.0
  N  N3  1  0.237  0.237  0.237  1.0
[/CIF]
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The structure described by CaReN2 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 Re(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. Re(1) is bonded to six equivalent N(1) atoms to form ReN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Re(1)N6 octahedra. The corner-sharing octahedral tilt angles are 9°. N(1) is bonded to three equivalent Ca(1) and three equivalent Re(1) atoms to form a mixture of corner and edge-sharing NCa3Re3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaReN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.703
_cell_angle_alpha   32.121
_cell_angle_beta   32.121
_cell_angle_gamma   32.121
_symmetry_Int_Tables_number   1
_cell_volume   46.606
_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
  Re  Re1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.763  0.763  0.763  1.0
  N  N3  1  0.237  0.237  0.237  1.0
[/CIF]
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