The compound described by Mn(NiN)3 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Ni(2), and two equivalent Ni(1) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. In the second N site, N(2) is bonded to one Mn(1), one Ni(3), and two equivalent Ni(2) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. In the third N site, N(3) is bonded to one Mn(1), one Ni(1), and two equivalent Ni(3) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.555
_cell_length_b   7.568
_cell_length_c   3.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.131
_symmetry_Int_Tables_number   1
_cell_volume   164.626
_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
  Mn  Mn0  1  0.666  0.333  0.750  1.0
  Mn  Mn1  1  0.334  0.667  0.250  1.0
  Ni  Ni2  1  0.761  0.639  0.250  1.0
  Ni  Ni3  1  0.878  0.239  0.250  1.0
  Ni  Ni4  1  0.360  0.121  0.250  1.0
  Ni  Ni5  1  0.239  0.361  0.750  1.0
  Ni  Ni6  1  0.122  0.761  0.750  1.0
  Ni  Ni7  1  0.640  0.879  0.750  1.0
  N  N8  1  0.842  0.598  0.750  1.0
  N  N9  1  0.755  0.159  0.750  1.0
  N  N10  1  0.401  0.243  0.750  1.0
  N  N11  1  0.158  0.402  0.250  1.0
  N  N12  1  0.245  0.841  0.250  1.0
  N  N13  1  0.599  0.757  0.250  1.0
[/CIF]
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The compound described by Mn(NiN)3 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Ni(2), and two equivalent Ni(1) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. In the second N site, N(2) is bonded to one Mn(1), one Ni(3), and two equivalent Ni(2) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. In the third N site, N(3) is bonded to one Mn(1), one Ni(1), and two equivalent Ni(3) atoms to form distorted corner-sharing NMnNi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.555
_cell_length_b   7.568
_cell_length_c   3.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.131
_symmetry_Int_Tables_number   1
_cell_volume   164.626
_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
  Mn  Mn0  1  0.666  0.333  0.750  1.0
  Mn  Mn1  1  0.334  0.667  0.250  1.0
  Ni  Ni2  1  0.761  0.639  0.250  1.0
  Ni  Ni3  1  0.878  0.239  0.250  1.0
  Ni  Ni4  1  0.360  0.121  0.250  1.0
  Ni  Ni5  1  0.239  0.361  0.750  1.0
  Ni  Ni6  1  0.122  0.761  0.750  1.0
  Ni  Ni7  1  0.640  0.879  0.750  1.0
  N  N8  1  0.842  0.598  0.750  1.0
  N  N9  1  0.755  0.159  0.750  1.0
  N  N10  1  0.401  0.243  0.750  1.0
  N  N11  1  0.158  0.402  0.250  1.0
  N  N12  1  0.245  0.841  0.250  1.0
  N  N13  1  0.599  0.757  0.250  1.0
[/CIF]
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