The material described by Mg11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form MgN6 octahedra that share edges with two equivalent Mg(1)N6 octahedra and edges with eight equivalent Mg(2)N5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted MgN5 trigonal bipyramids that share corners with three equivalent Mg(2)N5 trigonal bipyramids, corners with four equivalent Mg(4)N4 trigonal pyramids, edges with two equivalent Mg(1)N6 octahedra, edges with three equivalent Mg(2)N5 trigonal bipyramids, and  an edgeedge with one Mg(4)N4 trigonal pyramid. In the third Mg site, Mg(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Mg site, Mg(4) is bonded to one N(3) and three equivalent N(2) atoms to form distorted MgN4 trigonal pyramids that share corners with four equivalent Mg(2)N5 trigonal bipyramids, corners with seven equivalent Mg(4)N4 trigonal pyramids, and  an edgeedge with one Mg(2)N5 trigonal bipyramid. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded to two equivalent Mg(3), two equivalent Mg(4), and one C(1) atom to form distorted NMg4C trigonal bipyramids that share  a cornercorner with one N(4)Mg5C octahedra, corners with two equivalent N(1)Mg6 octahedra, corners with two equivalent N(3)Mg4C trigonal bipyramids, and  an edgeedge with one N(1)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second N site, N(4) is bonded to one Mg(1), four equivalent Mg(2), and one C(1) atom to form distorted NMg5C octahedra that share  a cornercorner with one N(4)Mg5C octahedra,  a cornercorner with one N(3)Mg4C trigonal bipyramid, edges with two equivalent N(4)Mg5C octahedra, and edges with four equivalent N(1)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form NMg6 octahedra that share corners with two equivalent N(1)Mg6 octahedra, corners with two equivalent N(3)Mg4C trigonal bipyramids, edges with three equivalent N(1)Mg6 octahedra, edges with four equivalent N(4)Mg5C octahedra, and  an edgeedge with one N(3)Mg4C trigonal bipyramid. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(4) atoms. is represented by the CIF file [CIF]
data_Mg11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.141
_cell_length_b   13.141
_cell_length_c   3.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.398
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Mg  Mg2  1  0.986  0.793  0.500  1.0
  Mg  Mg3  1  0.014  0.207  0.500  1.0
  Mg  Mg4  1  0.514  0.293  0.000  1.0
  Mg  Mg5  1  0.486  0.707  0.000  1.0
  Mg  Mg6  1  0.793  0.986  0.500  1.0
  Mg  Mg7  1  0.207  0.014  0.500  1.0
  Mg  Mg8  1  0.293  0.514  0.000  1.0
  Mg  Mg9  1  0.707  0.486  0.000  1.0
  Mg  Mg10  1  0.661  0.661  0.500  1.0
  Mg  Mg11  1  0.339  0.339  0.500  1.0
  Mg  Mg12  1  0.839  0.161  0.000  1.0
  Mg  Mg13  1  0.161  0.839  0.000  1.0
  Mg  Mg14  1  0.385  0.904  0.500  1.0
  Mg  Mg15  1  0.615  0.096  0.500  1.0
  Mg  Mg16  1  0.115  0.404  0.000  1.0
  Mg  Mg17  1  0.885  0.596  0.000  1.0
  Mg  Mg18  1  0.904  0.385  0.500  1.0
  Mg  Mg19  1  0.096  0.615  0.500  1.0
  Mg  Mg20  1  0.404  0.115  0.000  1.0
  Mg  Mg21  1  0.596  0.885  0.000  1.0
  C  C22  1  0.309  0.691  0.500  1.0
  C  C23  1  0.691  0.309  0.500  1.0
  C  C24  1  0.191  0.191  0.000  1.0
  C  C25  1  0.809  0.809  0.000  1.0
  N  N26  1  0.086  0.914  0.500  1.0
  N  N27  1  0.914  0.086  0.500  1.0
  N  N28  1  0.414  0.414  0.000  1.0
  N  N29  1  0.586  0.586  0.000  1.0
  N  N30  1  0.481  0.185  0.500  1.0
  N  N31  1  0.519  0.815  0.500  1.0
  N  N32  1  0.019  0.685  0.000  1.0
  N  N33  1  0.981  0.315  0.000  1.0
  N  N34  1  0.185  0.481  0.500  1.0
  N  N35  1  0.815  0.519  0.500  1.0
  N  N36  1  0.685  0.019  0.000  1.0
  N  N37  1  0.315  0.981  0.000  1.0
  N  N38  1  0.243  0.757  0.500  1.0
  N  N39  1  0.757  0.243  0.500  1.0
  N  N40  1  0.257  0.257  0.000  1.0
  N  N41  1  0.743  0.743  0.000  1.0
  N  N42  1  0.376  0.624  0.500  1.0
  N  N43  1  0.624  0.376  0.500  1.0
  N  N44  1  0.124  0.124  0.000  1.0
  N  N45  1  0.876  0.876  0.000  1.0
[/CIF]
.
The material described by Mg11(CN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form MgN6 octahedra that share edges with two equivalent Mg(1)N6 octahedra and edges with eight equivalent Mg(2)N5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted MgN5 trigonal bipyramids that share corners with three equivalent Mg(2)N5 trigonal bipyramids, corners with four equivalent Mg(4)N4 trigonal pyramids, edges with two equivalent Mg(1)N6 octahedra, edges with three equivalent Mg(2)N5 trigonal bipyramids, and  an edgeedge with one Mg(4)N4 trigonal pyramid. In the third Mg site, Mg(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Mg site, Mg(4) is bonded to one N(3) and three equivalent N(2) atoms to form distorted MgN4 trigonal pyramids that share corners with four equivalent Mg(2)N5 trigonal bipyramids, corners with seven equivalent Mg(4)N4 trigonal pyramids, and  an edgeedge with one Mg(2)N5 trigonal bipyramid. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded to two equivalent Mg(3), two equivalent Mg(4), and one C(1) atom to form distorted NMg4C trigonal bipyramids that share  a cornercorner with one N(4)Mg5C octahedra, corners with two equivalent N(1)Mg6 octahedra, corners with two equivalent N(3)Mg4C trigonal bipyramids, and  an edgeedge with one N(1)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second N site, N(4) is bonded to one Mg(1), four equivalent Mg(2), and one C(1) atom to form distorted NMg5C octahedra that share  a cornercorner with one N(4)Mg5C octahedra,  a cornercorner with one N(3)Mg4C trigonal bipyramid, edges with two equivalent N(4)Mg5C octahedra, and edges with four equivalent N(1)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form NMg6 octahedra that share corners with two equivalent N(1)Mg6 octahedra, corners with two equivalent N(3)Mg4C trigonal bipyramids, edges with three equivalent N(1)Mg6 octahedra, edges with four equivalent N(4)Mg5C octahedra, and  an edgeedge with one N(3)Mg4C trigonal bipyramid. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2) and three equivalent Mg(4) atoms. is represented by the CIF file [CIF]
data_Mg11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.141
_cell_length_b   13.141
_cell_length_c   3.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.398
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Mg  Mg2  1  0.986  0.793  0.500  1.0
  Mg  Mg3  1  0.014  0.207  0.500  1.0
  Mg  Mg4  1  0.514  0.293  0.000  1.0
  Mg  Mg5  1  0.486  0.707  0.000  1.0
  Mg  Mg6  1  0.793  0.986  0.500  1.0
  Mg  Mg7  1  0.207  0.014  0.500  1.0
  Mg  Mg8  1  0.293  0.514  0.000  1.0
  Mg  Mg9  1  0.707  0.486  0.000  1.0
  Mg  Mg10  1  0.661  0.661  0.500  1.0
  Mg  Mg11  1  0.339  0.339  0.500  1.0
  Mg  Mg12  1  0.839  0.161  0.000  1.0
  Mg  Mg13  1  0.161  0.839  0.000  1.0
  Mg  Mg14  1  0.385  0.904  0.500  1.0
  Mg  Mg15  1  0.615  0.096  0.500  1.0
  Mg  Mg16  1  0.115  0.404  0.000  1.0
  Mg  Mg17  1  0.885  0.596  0.000  1.0
  Mg  Mg18  1  0.904  0.385  0.500  1.0
  Mg  Mg19  1  0.096  0.615  0.500  1.0
  Mg  Mg20  1  0.404  0.115  0.000  1.0
  Mg  Mg21  1  0.596  0.885  0.000  1.0
  C  C22  1  0.309  0.691  0.500  1.0
  C  C23  1  0.691  0.309  0.500  1.0
  C  C24  1  0.191  0.191  0.000  1.0
  C  C25  1  0.809  0.809  0.000  1.0
  N  N26  1  0.086  0.914  0.500  1.0
  N  N27  1  0.914  0.086  0.500  1.0
  N  N28  1  0.414  0.414  0.000  1.0
  N  N29  1  0.586  0.586  0.000  1.0
  N  N30  1  0.481  0.185  0.500  1.0
  N  N31  1  0.519  0.815  0.500  1.0
  N  N32  1  0.019  0.685  0.000  1.0
  N  N33  1  0.981  0.315  0.000  1.0
  N  N34  1  0.185  0.481  0.500  1.0
  N  N35  1  0.815  0.519  0.500  1.0
  N  N36  1  0.685  0.019  0.000  1.0
  N  N37  1  0.315  0.981  0.000  1.0
  N  N38  1  0.243  0.757  0.500  1.0
  N  N39  1  0.757  0.243  0.500  1.0
  N  N40  1  0.257  0.257  0.000  1.0
  N  N41  1  0.743  0.743  0.000  1.0
  N  N42  1  0.376  0.624  0.500  1.0
  N  N43  1  0.624  0.376  0.500  1.0
  N  N44  1  0.124  0.124  0.000  1.0
  N  N45  1  0.876  0.876  0.000  1.0
[/CIF]
.