The material described by Co2NiN2 crystallizes in the tetragonal I4/mmm space group. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Co(1) and one Ni(1) atom to form a mixture of corner and edge-sharing NCo5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-19°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.785
_cell_length_b   2.785
_cell_length_c   6.214
_cell_angle_alpha   102.951
_cell_angle_beta   102.948
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.717
_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
  Co  Co0  1  0.819  0.819  0.137  1.0
  Co  Co1  1  0.181  0.181  0.863  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.346  0.346  0.192  1.0
  N  N4  1  0.654  0.654  0.808  1.0
[/CIF]
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The material described by Co2NiN2 crystallizes in the tetragonal I4/mmm space group. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Co(1) and one Ni(1) atom to form a mixture of corner and edge-sharing NCo5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-19°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.785
_cell_length_b   2.785
_cell_length_c   6.214
_cell_angle_alpha   102.951
_cell_angle_beta   102.948
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.717
_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
  Co  Co0  1  0.819  0.819  0.137  1.0
  Co  Co1  1  0.181  0.181  0.863  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.346  0.346  0.192  1.0
  N  N4  1  0.654  0.654  0.808  1.0
[/CIF]
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