The compound described by CaNiN crystallizes in the tetragonal P4_2/mmc space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to four equivalent Ca(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NCa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_CaNiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.537
_cell_length_b   3.537
_cell_length_c   7.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.136
_cell_formula_units_Z   2
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  0.750  1.0
  Ca  Ca1  1  0.000  0.000  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
.
The compound described by CaNiN crystallizes in the tetragonal P4_2/mmc space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to four equivalent Ca(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NCa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_CaNiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.537
_cell_length_b   3.537
_cell_length_c   7.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.136
_cell_formula_units_Z   2
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  0.750  1.0
  Ca  Ca1  1  0.000  0.000  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
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