The material described by CoNi5N4 crystallizes in the orthorhombic Pmmn space group. Co(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Co(1), one Ni(2), and two equivalent Ni(1) atoms to form NCoNi3 trigonal pyramids that share corners with six equivalent N(2)CoNi4 trigonal bipyramids and corners with two equivalent N(1)CoNi3 trigonal pyramids. In the second N site, N(2) is bonded to one Co(1) and four equivalent Ni(1) atoms to form distorted NCoNi4 trigonal bipyramids that share  a cornercorner with one N(2)CoNi4 trigonal bipyramid, corners with six equivalent N(1)CoNi3 trigonal pyramids, and edges with two equivalent N(2)CoNi4 trigonal bipyramids. is represented by the CIF file [CIF]
data_CoNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.955
_cell_length_b   5.759
_cell_length_c   3.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.702
_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
  Co  Co0  1  0.750  0.250  0.712  1.0
  Co  Co1  1  0.250  0.750  0.288  1.0
  Ni  Ni2  1  0.595  0.534  0.302  1.0
  Ni  Ni3  1  0.905  0.534  0.302  1.0
  Ni  Ni4  1  0.595  0.966  0.302  1.0
  Ni  Ni5  1  0.905  0.966  0.302  1.0
  Ni  Ni6  1  0.405  0.466  0.698  1.0
  Ni  Ni7  1  0.095  0.466  0.698  1.0
  Ni  Ni8  1  0.405  0.034  0.698  1.0
  Ni  Ni9  1  0.095  0.034  0.698  1.0
  Ni  Ni10  1  0.750  0.750  0.814  1.0
  Ni  Ni11  1  0.250  0.250  0.186  1.0
  N  N12  1  0.750  0.025  0.022  1.0
  N  N13  1  0.750  0.475  0.022  1.0
  N  N14  1  0.250  0.975  0.978  1.0
  N  N15  1  0.250  0.525  0.978  1.0
  N  N16  1  0.447  0.750  0.456  1.0
  N  N17  1  0.053  0.750  0.456  1.0
  N  N18  1  0.553  0.250  0.544  1.0
  N  N19  1  0.947  0.250  0.544  1.0
[/CIF]
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The material described by CoNi5N4 crystallizes in the orthorhombic Pmmn space group. Co(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Co(1), one Ni(2), and two equivalent Ni(1) atoms to form NCoNi3 trigonal pyramids that share corners with six equivalent N(2)CoNi4 trigonal bipyramids and corners with two equivalent N(1)CoNi3 trigonal pyramids. In the second N site, N(2) is bonded to one Co(1) and four equivalent Ni(1) atoms to form distorted NCoNi4 trigonal bipyramids that share  a cornercorner with one N(2)CoNi4 trigonal bipyramid, corners with six equivalent N(1)CoNi3 trigonal pyramids, and edges with two equivalent N(2)CoNi4 trigonal bipyramids. is represented by the CIF file [CIF]
data_CoNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.955
_cell_length_b   5.759
_cell_length_c   3.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.702
_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
  Co  Co0  1  0.750  0.250  0.712  1.0
  Co  Co1  1  0.250  0.750  0.288  1.0
  Ni  Ni2  1  0.595  0.534  0.302  1.0
  Ni  Ni3  1  0.905  0.534  0.302  1.0
  Ni  Ni4  1  0.595  0.966  0.302  1.0
  Ni  Ni5  1  0.905  0.966  0.302  1.0
  Ni  Ni6  1  0.405  0.466  0.698  1.0
  Ni  Ni7  1  0.095  0.466  0.698  1.0
  Ni  Ni8  1  0.405  0.034  0.698  1.0
  Ni  Ni9  1  0.095  0.034  0.698  1.0
  Ni  Ni10  1  0.750  0.750  0.814  1.0
  Ni  Ni11  1  0.250  0.250  0.186  1.0
  N  N12  1  0.750  0.025  0.022  1.0
  N  N13  1  0.750  0.475  0.022  1.0
  N  N14  1  0.250  0.975  0.978  1.0
  N  N15  1  0.250  0.525  0.978  1.0
  N  N16  1  0.447  0.750  0.456  1.0
  N  N17  1  0.053  0.750  0.456  1.0
  N  N18  1  0.553  0.250  0.544  1.0
  N  N19  1  0.947  0.250  0.544  1.0
[/CIF]
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