The compound described by Ca11(ReN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form CaN6 octahedra that share edges with two equivalent Ca(1)N6 octahedra and edges with eight equivalent Ca(2)N5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted CaN5 trigonal bipyramids that share corners with three equivalent Ca(2)N5 trigonal bipyramids, edges with two equivalent Ca(1)N6 octahedra, and edges with three equivalent Ca(2)N5 trigonal bipyramids. In the third Ca site, Ca(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one N(3) and three equivalent N(2) atoms. Re(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 in a 5-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), and one Re(1) atom. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Re(1) atom to form NCa5Re octahedra that share  a cornercorner with one N(4)Ca5Re octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids, edges with two equivalent N(4)Ca5Re octahedra, edges with four equivalent N(1)Ca6 octahedra, and edges with two equivalent N(2)Ca5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third N site, N(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ca(3) atoms to form NCa6 octahedra that share corners with two equivalent N(1)Ca6 octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids, edges with three equivalent N(1)Ca6 octahedra, and edges with four equivalent N(4)Ca5Re octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Ca(2) and three equivalent Ca(4) atoms to form distorted NCa5 trigonal bipyramids that share corners with two equivalent N(4)Ca5Re octahedra, corners with two equivalent N(1)Ca6 octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids,  an edgeedge with one N(4)Ca5Re octahedra, and edges with two equivalent N(2)Ca5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca11(ReN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.412
_cell_length_b   15.412
_cell_length_c   3.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   834.046
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.976  0.798  0.500  1.0
  Ca  Ca3  1  0.024  0.202  0.500  1.0
  Ca  Ca4  1  0.524  0.298  0.000  1.0
  Ca  Ca5  1  0.476  0.702  0.000  1.0
  Ca  Ca6  1  0.798  0.976  0.500  1.0
  Ca  Ca7  1  0.202  0.024  0.500  1.0
  Ca  Ca8  1  0.298  0.524  0.000  1.0
  Ca  Ca9  1  0.702  0.476  0.000  1.0
  Ca  Ca10  1  0.656  0.656  0.500  1.0
  Ca  Ca11  1  0.344  0.344  0.500  1.0
  Ca  Ca12  1  0.844  0.156  0.000  1.0
  Ca  Ca13  1  0.156  0.844  0.000  1.0
  Ca  Ca14  1  0.376  0.893  0.500  1.0
  Ca  Ca15  1  0.624  0.107  0.500  1.0
  Ca  Ca16  1  0.124  0.393  0.000  1.0
  Ca  Ca17  1  0.876  0.607  0.000  1.0
  Ca  Ca18  1  0.893  0.376  0.500  1.0
  Ca  Ca19  1  0.107  0.624  0.500  1.0
  Ca  Ca20  1  0.393  0.124  0.000  1.0
  Ca  Ca21  1  0.607  0.876  0.000  1.0
  Re  Re22  1  0.304  0.696  0.500  1.0
  Re  Re23  1  0.696  0.304  0.500  1.0
  Re  Re24  1  0.196  0.196  0.000  1.0
  Re  Re25  1  0.804  0.804  0.000  1.0
  N  N26  1  0.080  0.920  0.500  1.0
  N  N27  1  0.920  0.080  0.500  1.0
  N  N28  1  0.420  0.420  0.000  1.0
  N  N29  1  0.580  0.580  0.000  1.0
  N  N30  1  0.480  0.187  0.500  1.0
  N  N31  1  0.520  0.813  0.500  1.0
  N  N32  1  0.020  0.687  0.000  1.0
  N  N33  1  0.980  0.313  0.000  1.0
  N  N34  1  0.187  0.480  0.500  1.0
  N  N35  1  0.813  0.520  0.500  1.0
  N  N36  1  0.687  0.020  0.000  1.0
  N  N37  1  0.313  0.980  0.000  1.0
  N  N38  1  0.220  0.780  0.500  1.0
  N  N39  1  0.780  0.220  0.500  1.0
  N  N40  1  0.280  0.280  0.000  1.0
  N  N41  1  0.720  0.720  0.000  1.0
  N  N42  1  0.388  0.612  0.500  1.0
  N  N43  1  0.612  0.388  0.500  1.0
  N  N44  1  0.112  0.112  0.000  1.0
  N  N45  1  0.888  0.888  0.000  1.0
[/CIF]
.
The compound described by Ca11(ReN5)2 crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(4) and four equivalent N(1) atoms to form CaN6 octahedra that share edges with two equivalent Ca(1)N6 octahedra and edges with eight equivalent Ca(2)N5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to one N(1), two equivalent N(2), and two equivalent N(4) atoms to form distorted CaN5 trigonal bipyramids that share corners with three equivalent Ca(2)N5 trigonal bipyramids, edges with two equivalent Ca(1)N6 octahedra, and edges with three equivalent Ca(2)N5 trigonal bipyramids. In the third Ca site, Ca(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one N(3) and three equivalent N(2) atoms. Re(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 in a 5-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), and one Re(1) atom. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Re(1) atom to form NCa5Re octahedra that share  a cornercorner with one N(4)Ca5Re octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids, edges with two equivalent N(4)Ca5Re octahedra, edges with four equivalent N(1)Ca6 octahedra, and edges with two equivalent N(2)Ca5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third N site, N(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ca(3) atoms to form NCa6 octahedra that share corners with two equivalent N(1)Ca6 octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids, edges with three equivalent N(1)Ca6 octahedra, and edges with four equivalent N(4)Ca5Re octahedra. The corner-sharing octahedra are not tilted. In the fourth N site, N(2) is bonded to two equivalent Ca(2) and three equivalent Ca(4) atoms to form distorted NCa5 trigonal bipyramids that share corners with two equivalent N(4)Ca5Re octahedra, corners with two equivalent N(1)Ca6 octahedra, corners with four equivalent N(2)Ca5 trigonal bipyramids,  an edgeedge with one N(4)Ca5Re octahedra, and edges with two equivalent N(2)Ca5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca11(ReN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.412
_cell_length_b   15.412
_cell_length_c   3.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   834.046
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.976  0.798  0.500  1.0
  Ca  Ca3  1  0.024  0.202  0.500  1.0
  Ca  Ca4  1  0.524  0.298  0.000  1.0
  Ca  Ca5  1  0.476  0.702  0.000  1.0
  Ca  Ca6  1  0.798  0.976  0.500  1.0
  Ca  Ca7  1  0.202  0.024  0.500  1.0
  Ca  Ca8  1  0.298  0.524  0.000  1.0
  Ca  Ca9  1  0.702  0.476  0.000  1.0
  Ca  Ca10  1  0.656  0.656  0.500  1.0
  Ca  Ca11  1  0.344  0.344  0.500  1.0
  Ca  Ca12  1  0.844  0.156  0.000  1.0
  Ca  Ca13  1  0.156  0.844  0.000  1.0
  Ca  Ca14  1  0.376  0.893  0.500  1.0
  Ca  Ca15  1  0.624  0.107  0.500  1.0
  Ca  Ca16  1  0.124  0.393  0.000  1.0
  Ca  Ca17  1  0.876  0.607  0.000  1.0
  Ca  Ca18  1  0.893  0.376  0.500  1.0
  Ca  Ca19  1  0.107  0.624  0.500  1.0
  Ca  Ca20  1  0.393  0.124  0.000  1.0
  Ca  Ca21  1  0.607  0.876  0.000  1.0
  Re  Re22  1  0.304  0.696  0.500  1.0
  Re  Re23  1  0.696  0.304  0.500  1.0
  Re  Re24  1  0.196  0.196  0.000  1.0
  Re  Re25  1  0.804  0.804  0.000  1.0
  N  N26  1  0.080  0.920  0.500  1.0
  N  N27  1  0.920  0.080  0.500  1.0
  N  N28  1  0.420  0.420  0.000  1.0
  N  N29  1  0.580  0.580  0.000  1.0
  N  N30  1  0.480  0.187  0.500  1.0
  N  N31  1  0.520  0.813  0.500  1.0
  N  N32  1  0.020  0.687  0.000  1.0
  N  N33  1  0.980  0.313  0.000  1.0
  N  N34  1  0.187  0.480  0.500  1.0
  N  N35  1  0.813  0.520  0.500  1.0
  N  N36  1  0.687  0.020  0.000  1.0
  N  N37  1  0.313  0.980  0.000  1.0
  N  N38  1  0.220  0.780  0.500  1.0
  N  N39  1  0.780  0.220  0.500  1.0
  N  N40  1  0.280  0.280  0.000  1.0
  N  N41  1  0.720  0.720  0.000  1.0
  N  N42  1  0.388  0.612  0.500  1.0
  N  N43  1  0.612  0.388  0.500  1.0
  N  N44  1  0.112  0.112  0.000  1.0
  N  N45  1  0.888  0.888  0.000  1.0
[/CIF]
.