The structure described by Ca11(N5Te)2 is Krennerite-derived structured and 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 edge-sharing CaN6 octahedra. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. In the third Ca site, Ca(3) is bonded in a distorted bent 120 degrees geometry to two equivalent N(2), two equivalent N(3), and two equivalent Te(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 3-coordinate geometry to three equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one N(1) atom. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Te(1) atom to form NCa5Te octahedra that share  a cornercorner with one N(4)Ca5Te octahedra, corners with four equivalent N(2)Ca6 octahedra, edges with two equivalent N(4)Ca5Te octahedra, edges with two equivalent N(2)Ca6 octahedra, and edges with four equivalent N(1)Ca4N trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the third N site, N(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one N(3) atom to form distorted NCa4N trigonal bipyramids that share corners with four equivalent N(2)Ca6 octahedra, corners with four equivalent N(1)Ca4N trigonal bipyramids, edges with four equivalent N(4)Ca5Te octahedra, and  an edgeedge with one N(1)Ca4N trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. In the fourth N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and three equivalent Ca(4) atoms to form distorted NCa6 octahedra that share corners with two equivalent N(4)Ca5Te octahedra, corners with five equivalent N(2)Ca6 octahedra, corners with two equivalent N(1)Ca4N trigonal bipyramids,  an edgeedge with one N(4)Ca5Te octahedra, and edges with two equivalent N(2)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. Te(1) is bonded in a distorted single-bond geometry to two equivalent Ca(3) and one N(4) atom. is represented by the CIF file [CIF]
data_Ca11(TeN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.084
_cell_length_b   15.084
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.120
_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  0.978  0.793  0.500  1.0
  Ca  Ca3  1  0.022  0.207  0.500  1.0
  Ca  Ca4  1  0.522  0.293  0.000  1.0
  Ca  Ca5  1  0.478  0.707  0.000  1.0
  Ca  Ca6  1  0.793  0.978  0.500  1.0
  Ca  Ca7  1  0.207  0.022  0.500  1.0
  Ca  Ca8  1  0.293  0.522  0.000  1.0
  Ca  Ca9  1  0.707  0.478  0.000  1.0
  Ca  Ca10  1  0.690  0.690  0.500  1.0
  Ca  Ca11  1  0.310  0.310  0.500  1.0
  Ca  Ca12  1  0.810  0.190  0.000  1.0
  Ca  Ca13  1  0.190  0.810  0.000  1.0
  Ca  Ca14  1  0.388  0.899  0.500  1.0
  Ca  Ca15  1  0.612  0.101  0.500  1.0
  Ca  Ca16  1  0.112  0.399  0.000  1.0
  Ca  Ca17  1  0.888  0.601  0.000  1.0
  Ca  Ca18  1  0.899  0.388  0.500  1.0
  Ca  Ca19  1  0.101  0.612  0.500  1.0
  Ca  Ca20  1  0.399  0.112  0.000  1.0
  Ca  Ca21  1  0.601  0.888  0.000  1.0
  Te  Te22  1  0.298  0.702  0.500  1.0
  Te  Te23  1  0.702  0.298  0.500  1.0
  Te  Te24  1  0.202  0.202  0.000  1.0
  Te  Te25  1  0.798  0.798  0.000  1.0
  N  N26  1  0.071  0.929  0.500  1.0
  N  N27  1  0.929  0.071  0.500  1.0
  N  N28  1  0.429  0.429  0.000  1.0
  N  N29  1  0.571  0.571  0.000  1.0
  N  N30  1  0.469  0.185  0.500  1.0
  N  N31  1  0.531  0.815  0.500  1.0
  N  N32  1  0.031  0.685  0.000  1.0
  N  N33  1  0.969  0.315  0.000  1.0
  N  N34  1  0.185  0.469  0.500  1.0
  N  N35  1  0.815  0.531  0.500  1.0
  N  N36  1  0.685  0.031  0.000  1.0
  N  N37  1  0.315  0.969  0.000  1.0
  N  N38  1  0.869  0.131  0.500  1.0
  N  N39  1  0.131  0.869  0.500  1.0
  N  N40  1  0.631  0.631  0.000  1.0
  N  N41  1  0.369  0.369  0.000  1.0
  N  N42  1  0.607  0.393  0.500  1.0
  N  N43  1  0.393  0.607  0.500  1.0
  N  N44  1  0.893  0.893  0.000  1.0
  N  N45  1  0.107  0.107  0.000  1.0
[/CIF]
.
The structure described by Ca11(N5Te)2 is Krennerite-derived structured and 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 edge-sharing CaN6 octahedra. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. In the third Ca site, Ca(3) is bonded in a distorted bent 120 degrees geometry to two equivalent N(2), two equivalent N(3), and two equivalent Te(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 3-coordinate geometry to three equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one N(1) atom. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Te(1) atom to form NCa5Te octahedra that share  a cornercorner with one N(4)Ca5Te octahedra, corners with four equivalent N(2)Ca6 octahedra, edges with two equivalent N(4)Ca5Te octahedra, edges with two equivalent N(2)Ca6 octahedra, and edges with four equivalent N(1)Ca4N trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the third N site, N(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one N(3) atom to form distorted NCa4N trigonal bipyramids that share corners with four equivalent N(2)Ca6 octahedra, corners with four equivalent N(1)Ca4N trigonal bipyramids, edges with four equivalent N(4)Ca5Te octahedra, and  an edgeedge with one N(1)Ca4N trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. In the fourth N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and three equivalent Ca(4) atoms to form distorted NCa6 octahedra that share corners with two equivalent N(4)Ca5Te octahedra, corners with five equivalent N(2)Ca6 octahedra, corners with two equivalent N(1)Ca4N trigonal bipyramids,  an edgeedge with one N(4)Ca5Te octahedra, and edges with two equivalent N(2)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. Te(1) is bonded in a distorted single-bond geometry to two equivalent Ca(3) and one N(4) atom. is represented by the CIF file [CIF]
data_Ca11(TeN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.084
_cell_length_b   15.084
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.120
_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  0.978  0.793  0.500  1.0
  Ca  Ca3  1  0.022  0.207  0.500  1.0
  Ca  Ca4  1  0.522  0.293  0.000  1.0
  Ca  Ca5  1  0.478  0.707  0.000  1.0
  Ca  Ca6  1  0.793  0.978  0.500  1.0
  Ca  Ca7  1  0.207  0.022  0.500  1.0
  Ca  Ca8  1  0.293  0.522  0.000  1.0
  Ca  Ca9  1  0.707  0.478  0.000  1.0
  Ca  Ca10  1  0.690  0.690  0.500  1.0
  Ca  Ca11  1  0.310  0.310  0.500  1.0
  Ca  Ca12  1  0.810  0.190  0.000  1.0
  Ca  Ca13  1  0.190  0.810  0.000  1.0
  Ca  Ca14  1  0.388  0.899  0.500  1.0
  Ca  Ca15  1  0.612  0.101  0.500  1.0
  Ca  Ca16  1  0.112  0.399  0.000  1.0
  Ca  Ca17  1  0.888  0.601  0.000  1.0
  Ca  Ca18  1  0.899  0.388  0.500  1.0
  Ca  Ca19  1  0.101  0.612  0.500  1.0
  Ca  Ca20  1  0.399  0.112  0.000  1.0
  Ca  Ca21  1  0.601  0.888  0.000  1.0
  Te  Te22  1  0.298  0.702  0.500  1.0
  Te  Te23  1  0.702  0.298  0.500  1.0
  Te  Te24  1  0.202  0.202  0.000  1.0
  Te  Te25  1  0.798  0.798  0.000  1.0
  N  N26  1  0.071  0.929  0.500  1.0
  N  N27  1  0.929  0.071  0.500  1.0
  N  N28  1  0.429  0.429  0.000  1.0
  N  N29  1  0.571  0.571  0.000  1.0
  N  N30  1  0.469  0.185  0.500  1.0
  N  N31  1  0.531  0.815  0.500  1.0
  N  N32  1  0.031  0.685  0.000  1.0
  N  N33  1  0.969  0.315  0.000  1.0
  N  N34  1  0.185  0.469  0.500  1.0
  N  N35  1  0.815  0.531  0.500  1.0
  N  N36  1  0.685  0.031  0.000  1.0
  N  N37  1  0.315  0.969  0.000  1.0
  N  N38  1  0.869  0.131  0.500  1.0
  N  N39  1  0.131  0.869  0.500  1.0
  N  N40  1  0.631  0.631  0.000  1.0
  N  N41  1  0.369  0.369  0.000  1.0
  N  N42  1  0.607  0.393  0.500  1.0
  N  N43  1  0.393  0.607  0.500  1.0
  N  N44  1  0.893  0.893  0.000  1.0
  N  N45  1  0.107  0.107  0.000  1.0
[/CIF]
.