The material structure described by Ca(Mn5N4)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a distorted square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted 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 square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Mn site, Mn(3) is bonded to one N(3), one N(4), and three equivalent N(2) atoms to form MnN5 trigonal bipyramids that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N4 trigonal pyramids, and edges with two equivalent Mn(3)N5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form MnN4 trigonal pyramids that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N4 trigonal pyramids, and  an edgeedge with one Mn(4)N4 trigonal pyramid. In the fifth Mn site, Mn(5) is bonded in a distorted T-shaped geometry to one N(1) and two 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 distorted NMn5 trigonal bipyramids that share corners with two equivalent N(4)CaMn5 octahedra, corners with two equivalent N(1)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn5 trigonal bipyramids, corners with three equivalent N(3)CaMn4 trigonal bipyramids, and edges with two equivalent N(4)CaMn5 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second N site, N(2) is bonded to one Mn(1), one Mn(2), and three equivalent Mn(3) atoms to form NMn5 trigonal bipyramids that share  a cornercorner with one N(4)CaMn5 octahedra, corners with two equivalent N(3)CaMn4 trigonal bipyramids, corners with two equivalent N(1)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn5 trigonal bipyramids, edges with two equivalent N(4)CaMn5 octahedra,  an edgeedge with one N(3)CaMn4 trigonal bipyramid, and edges with two equivalent N(2)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 14°. In the third N site, N(3) is bonded to one Ca(1), one Mn(1), one Mn(3), and two equivalent Mn(5) atoms to form NCaMn4 trigonal bipyramids that share  a cornercorner with one N(4)CaMn5 octahedra, corners with two equivalent N(2)Mn5 trigonal bipyramids, corners with three equivalent N(3)CaMn4 trigonal bipyramids, corners with three equivalent N(1)Mn5 trigonal bipyramids,  an edgeedge with one N(4)CaMn5 octahedra, and  an edgeedge with one N(2)Mn5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 79°. In the fourth N site, N(4) is bonded to one Ca(1), one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form NCaMn5 octahedra that share corners with three equivalent N(4)CaMn5 octahedra,  a cornercorner with one N(3)CaMn4 trigonal bipyramid,  a cornercorner with one N(2)Mn5 trigonal bipyramid, corners with two equivalent N(1)Mn5 trigonal bipyramids,  an edgeedge with one N(4)CaMn5 octahedra,  an edgeedge with one N(3)CaMn4 trigonal bipyramid, edges with two equivalent N(1)Mn5 trigonal bipyramids, and edges with two equivalent N(2)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Mn5N4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   3.826
_cell_length_c   7.560
_cell_angle_alpha   90.000
_cell_angle_beta   61.863
_cell_angle_gamma   76.852
_symmetry_Int_Tables_number   1
_cell_volume   207.310
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.401  0.799  0.818  1.0
  Mn  Mn2  1  0.599  0.201  0.182  1.0
  Mn  Mn3  1  0.078  0.961  0.788  1.0
  Mn  Mn4  1  0.922  0.039  0.212  1.0
  Mn  Mn5  1  0.641  0.680  0.441  1.0
  Mn  Mn6  1  0.359  0.320  0.559  1.0
  Mn  Mn7  1  0.829  0.586  0.998  1.0
  Mn  Mn8  1  0.171  0.414  0.002  1.0
  Mn  Mn9  1  0.366  0.817  0.201  1.0
  Mn  Mn10  1  0.634  0.183  0.799  1.0
  N  N11  1  0.196  0.902  0.090  1.0
  N  N12  1  0.804  0.098  0.910  1.0
  N  N13  1  0.359  0.821  0.601  1.0
  N  N14  1  0.641  0.179  0.399  1.0
  N  N15  1  0.661  0.669  0.701  1.0
  N  N16  1  0.339  0.331  0.299  1.0
  N  N17  1  0.907  0.547  0.229  1.0
  N  N18  1  0.093  0.453  0.771  1.0
[/CIF]
.
The material structure described by Ca(Mn5N4)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a distorted square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted 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 square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Mn site, Mn(3) is bonded to one N(3), one N(4), and three equivalent N(2) atoms to form MnN5 trigonal bipyramids that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N4 trigonal pyramids, and edges with two equivalent Mn(3)N5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form MnN4 trigonal pyramids that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N4 trigonal pyramids, and  an edgeedge with one Mn(4)N4 trigonal pyramid. In the fifth Mn site, Mn(5) is bonded in a distorted T-shaped geometry to one N(1) and two 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 distorted NMn5 trigonal bipyramids that share corners with two equivalent N(4)CaMn5 octahedra, corners with two equivalent N(1)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn5 trigonal bipyramids, corners with three equivalent N(3)CaMn4 trigonal bipyramids, and edges with two equivalent N(4)CaMn5 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second N site, N(2) is bonded to one Mn(1), one Mn(2), and three equivalent Mn(3) atoms to form NMn5 trigonal bipyramids that share  a cornercorner with one N(4)CaMn5 octahedra, corners with two equivalent N(3)CaMn4 trigonal bipyramids, corners with two equivalent N(1)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn5 trigonal bipyramids, edges with two equivalent N(4)CaMn5 octahedra,  an edgeedge with one N(3)CaMn4 trigonal bipyramid, and edges with two equivalent N(2)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 14°. In the third N site, N(3) is bonded to one Ca(1), one Mn(1), one Mn(3), and two equivalent Mn(5) atoms to form NCaMn4 trigonal bipyramids that share  a cornercorner with one N(4)CaMn5 octahedra, corners with two equivalent N(2)Mn5 trigonal bipyramids, corners with three equivalent N(3)CaMn4 trigonal bipyramids, corners with three equivalent N(1)Mn5 trigonal bipyramids,  an edgeedge with one N(4)CaMn5 octahedra, and  an edgeedge with one N(2)Mn5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 79°. In the fourth N site, N(4) is bonded to one Ca(1), one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form NCaMn5 octahedra that share corners with three equivalent N(4)CaMn5 octahedra,  a cornercorner with one N(3)CaMn4 trigonal bipyramid,  a cornercorner with one N(2)Mn5 trigonal bipyramid, corners with two equivalent N(1)Mn5 trigonal bipyramids,  an edgeedge with one N(4)CaMn5 octahedra,  an edgeedge with one N(3)CaMn4 trigonal bipyramid, edges with two equivalent N(1)Mn5 trigonal bipyramids, and edges with two equivalent N(2)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Mn5N4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   3.826
_cell_length_c   7.560
_cell_angle_alpha   90.000
_cell_angle_beta   61.863
_cell_angle_gamma   76.852
_symmetry_Int_Tables_number   1
_cell_volume   207.310
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.401  0.799  0.818  1.0
  Mn  Mn2  1  0.599  0.201  0.182  1.0
  Mn  Mn3  1  0.078  0.961  0.788  1.0
  Mn  Mn4  1  0.922  0.039  0.212  1.0
  Mn  Mn5  1  0.641  0.680  0.441  1.0
  Mn  Mn6  1  0.359  0.320  0.559  1.0
  Mn  Mn7  1  0.829  0.586  0.998  1.0
  Mn  Mn8  1  0.171  0.414  0.002  1.0
  Mn  Mn9  1  0.366  0.817  0.201  1.0
  Mn  Mn10  1  0.634  0.183  0.799  1.0
  N  N11  1  0.196  0.902  0.090  1.0
  N  N12  1  0.804  0.098  0.910  1.0
  N  N13  1  0.359  0.821  0.601  1.0
  N  N14  1  0.641  0.179  0.399  1.0
  N  N15  1  0.661  0.669  0.701  1.0
  N  N16  1  0.339  0.331  0.299  1.0
  N  N17  1  0.907  0.547  0.229  1.0
  N  N18  1  0.093  0.453  0.771  1.0
[/CIF]
.