The crystal structure described by Mn2Co9N8 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Co site, Co(3) is bonded to one N(3), one N(4), and three equivalent N(2) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. In the fourth Co site, Co(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Mn(1), one Co(2), one Co(5), and two equivalent Co(4) atoms. In the second N site, N(2) is bonded to one Mn(1), one Co(2), one Co(5), and three equivalent Co(3) atoms to form distorted NMnCo5 octahedra that share  a cornercorner with one N(4)Co6 octahedra, corners with two equivalent N(2)MnCo5 octahedra, edges with two equivalent N(4)Co6 octahedra, edges with two equivalent N(2)MnCo5 octahedra, and edges with three equivalent N(3)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the third N site, N(3) is bonded to one Mn(1), one Co(1), one Co(3), one Co(4), and two equivalent Co(5) atoms to form NMnCo5 octahedra that share  a cornercorner with one N(4)Co6 octahedra, corners with three equivalent N(3)MnCo5 octahedra, edges with two equivalent N(4)Co6 octahedra, and edges with three equivalent N(2)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth N site, N(4) is bonded to one Co(1), one Co(3), two equivalent Co(2), and two equivalent Co(4) atoms to form NCo6 octahedra that share  a cornercorner with one N(2)MnCo5 octahedra,  a cornercorner with one N(3)MnCo5 octahedra, corners with three equivalent N(4)Co6 octahedra,  an edgeedge with one N(4)Co6 octahedra, edges with two equivalent N(2)MnCo5 octahedra, and edges with two equivalent N(3)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Co9N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   3.904
_cell_length_c   6.519
_cell_angle_alpha   90.000
_cell_angle_beta   71.674
_cell_angle_gamma   74.548
_symmetry_Int_Tables_number   1
_cell_volume   169.885
_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
  Mn  Mn0  1  0.441  0.780  0.806  1.0
  Mn  Mn1  1  0.559  0.220  0.194  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.035  0.983  0.787  1.0
  Co  Co4  1  0.965  0.017  0.213  1.0
  Co  Co5  1  0.657  0.672  0.412  1.0
  Co  Co6  1  0.343  0.328  0.588  1.0
  Co  Co7  1  0.806  0.597  0.976  1.0
  Co  Co8  1  0.194  0.403  0.024  1.0
  Co  Co9  1  0.298  0.851  0.309  1.0
  Co  Co10  1  0.702  0.149  0.691  1.0
  N  N11  1  0.233  0.884  0.055  1.0
  N  N12  1  0.767  0.116  0.945  1.0
  N  N13  1  0.358  0.821  0.579  1.0
  N  N14  1  0.642  0.179  0.421  1.0
  N  N15  1  0.717  0.642  0.705  1.0
  N  N16  1  0.283  0.358  0.295  1.0
  N  N17  1  0.920  0.540  0.230  1.0
  N  N18  1  0.080  0.460  0.770  1.0
[/CIF]
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The crystal structure described by Mn2Co9N8 crystallizes in the monoclinic C2/m space group. Mn(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Co site, Co(3) is bonded to one N(3), one N(4), and three equivalent N(2) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. In the fourth Co site, Co(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Mn(1), one Co(2), one Co(5), and two equivalent Co(4) atoms. In the second N site, N(2) is bonded to one Mn(1), one Co(2), one Co(5), and three equivalent Co(3) atoms to form distorted NMnCo5 octahedra that share  a cornercorner with one N(4)Co6 octahedra, corners with two equivalent N(2)MnCo5 octahedra, edges with two equivalent N(4)Co6 octahedra, edges with two equivalent N(2)MnCo5 octahedra, and edges with three equivalent N(3)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the third N site, N(3) is bonded to one Mn(1), one Co(1), one Co(3), one Co(4), and two equivalent Co(5) atoms to form NMnCo5 octahedra that share  a cornercorner with one N(4)Co6 octahedra, corners with three equivalent N(3)MnCo5 octahedra, edges with two equivalent N(4)Co6 octahedra, and edges with three equivalent N(2)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth N site, N(4) is bonded to one Co(1), one Co(3), two equivalent Co(2), and two equivalent Co(4) atoms to form NCo6 octahedra that share  a cornercorner with one N(2)MnCo5 octahedra,  a cornercorner with one N(3)MnCo5 octahedra, corners with three equivalent N(4)Co6 octahedra,  an edgeedge with one N(4)Co6 octahedra, edges with two equivalent N(2)MnCo5 octahedra, and edges with two equivalent N(3)MnCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Co9N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   3.904
_cell_length_c   6.519
_cell_angle_alpha   90.000
_cell_angle_beta   71.674
_cell_angle_gamma   74.548
_symmetry_Int_Tables_number   1
_cell_volume   169.885
_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
  Mn  Mn0  1  0.441  0.780  0.806  1.0
  Mn  Mn1  1  0.559  0.220  0.194  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.035  0.983  0.787  1.0
  Co  Co4  1  0.965  0.017  0.213  1.0
  Co  Co5  1  0.657  0.672  0.412  1.0
  Co  Co6  1  0.343  0.328  0.588  1.0
  Co  Co7  1  0.806  0.597  0.976  1.0
  Co  Co8  1  0.194  0.403  0.024  1.0
  Co  Co9  1  0.298  0.851  0.309  1.0
  Co  Co10  1  0.702  0.149  0.691  1.0
  N  N11  1  0.233  0.884  0.055  1.0
  N  N12  1  0.767  0.116  0.945  1.0
  N  N13  1  0.358  0.821  0.579  1.0
  N  N14  1  0.642  0.179  0.421  1.0
  N  N15  1  0.717  0.642  0.705  1.0
  N  N16  1  0.283  0.358  0.295  1.0
  N  N17  1  0.920  0.540  0.230  1.0
  N  N18  1  0.080  0.460  0.770  1.0
[/CIF]
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