The material described by Cd(Mn5N4)2 crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-43-9 atoms inside a Mn5N4 framework. In the Mn5N4 framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to one N(4) and three equivalent N(2) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. In the fifth Mn site, Mn(5) is bonded in a rectangular see-saw-like geometry to one N(1) and three equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(2), one Mn(5), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing NMn5 trigonal bipyramids. In the second N site, N(2) is bonded to one Mn(1), one Mn(2), and three equivalent Mn(3) atoms to form a mixture of corner and edge-sharing NMn5 square pyramids. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Mn(1) and three equivalent Mn(5) atoms. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing NMn5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn10CdN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.285
_cell_length_b   3.821
_cell_length_c   8.162
_cell_angle_alpha   90.000
_cell_angle_beta   61.301
_cell_angle_gamma   76.669
_symmetry_Int_Tables_number   1
_cell_volume   218.636
_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  0.396  0.802  0.812  1.0
  Mn  Mn1  1  0.604  0.198  0.188  1.0
  Mn  Mn2  1  0.078  0.961  0.750  1.0
  Mn  Mn3  1  0.922  0.039  0.250  1.0
  Mn  Mn4  1  0.627  0.686  0.390  1.0
  Mn  Mn5  1  0.373  0.314  0.610  1.0
  Mn  Mn6  1  0.834  0.583  0.001  1.0
  Mn  Mn7  1  0.166  0.417  0.999  1.0
  Mn  Mn8  1  0.412  0.794  0.108  1.0
  Mn  Mn9  1  0.588  0.206  0.892  1.0
  Cd  Cd10  1  0.000  0.500  0.500  1.0
  N  N11  1  0.196  0.902  0.059  1.0
  N  N12  1  0.804  0.098  0.942  1.0
  N  N13  1  0.362  0.819  0.597  1.0
  N  N14  1  0.638  0.181  0.403  1.0
  N  N15  1  0.608  0.696  0.841  1.0
  N  N16  1  0.392  0.304  0.159  1.0
  N  N17  1  0.904  0.548  0.199  1.0
  N  N18  1  0.096  0.452  0.801  1.0
[/CIF]
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The material described by Cd(Mn5N4)2 crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-43-9 atoms inside a Mn5N4 framework. In the Mn5N4 framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to one N(4) and three equivalent N(2) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. In the fifth Mn site, Mn(5) is bonded in a rectangular see-saw-like geometry to one N(1) and three equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(2), one Mn(5), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing NMn5 trigonal bipyramids. In the second N site, N(2) is bonded to one Mn(1), one Mn(2), and three equivalent Mn(3) atoms to form a mixture of corner and edge-sharing NMn5 square pyramids. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Mn(1) and three equivalent Mn(5) atoms. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing NMn5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn10CdN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.285
_cell_length_b   3.821
_cell_length_c   8.162
_cell_angle_alpha   90.000
_cell_angle_beta   61.301
_cell_angle_gamma   76.669
_symmetry_Int_Tables_number   1
_cell_volume   218.636
_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  0.396  0.802  0.812  1.0
  Mn  Mn1  1  0.604  0.198  0.188  1.0
  Mn  Mn2  1  0.078  0.961  0.750  1.0
  Mn  Mn3  1  0.922  0.039  0.250  1.0
  Mn  Mn4  1  0.627  0.686  0.390  1.0
  Mn  Mn5  1  0.373  0.314  0.610  1.0
  Mn  Mn6  1  0.834  0.583  0.001  1.0
  Mn  Mn7  1  0.166  0.417  0.999  1.0
  Mn  Mn8  1  0.412  0.794  0.108  1.0
  Mn  Mn9  1  0.588  0.206  0.892  1.0
  Cd  Cd10  1  0.000  0.500  0.500  1.0
  N  N11  1  0.196  0.902  0.059  1.0
  N  N12  1  0.804  0.098  0.942  1.0
  N  N13  1  0.362  0.819  0.597  1.0
  N  N14  1  0.638  0.181  0.403  1.0
  N  N15  1  0.608  0.696  0.841  1.0
  N  N16  1  0.392  0.304  0.159  1.0
  N  N17  1  0.904  0.548  0.199  1.0
  N  N18  1  0.096  0.452  0.801  1.0
[/CIF]
.