The compound described by Ca5(PbN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form distorted CaN4 trigonal pyramids that share corners with four equivalent Pb(1)N4 tetrahedra, corners with four equivalent Ca(3)N5 trigonal bipyramids, and edges with two equivalent Ca(3)N5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the third Ca site, Ca(3) is bonded to one N(2), two equivalent N(1), and two equivalent N(3) atoms to form distorted CaN5 trigonal bipyramids that share corners with two equivalent Pb(1)N4 tetrahedra, corners with two equivalent Ca(3)N5 trigonal bipyramids, corners with two equivalent Ca(1)N4 trigonal pyramids, edges with two equivalent Pb(1)N4 tetrahedra,  an edgeedge with one Ca(3)N5 trigonal bipyramid, and  an edgeedge with one Ca(1)N4 trigonal pyramid. Pb(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted PbN4 tetrahedra that share corners with two equivalent Ca(3)N5 trigonal bipyramids, corners with two equivalent Ca(1)N4 trigonal pyramids,  an edgeedge with one Pb(1)N4 tetrahedra, and edges with two equivalent Ca(3)N5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and two equivalent Pb(1) atoms to form distorted NCa3Pb2 trigonal bipyramids that share corners with four equivalent N(3)Ca4Pb square pyramids, corners with two equivalent N(1)Ca4Pb trigonal bipyramids,  an edgeedge with one N(3)Ca4Pb square pyramid, edges with two equivalent N(2)Ca3Pb2 trigonal bipyramids, and edges with two equivalent N(1)Ca4Pb trigonal bipyramids. In the second N site, N(3) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and one Pb(1) atom to form NCa4Pb square pyramids that share corners with four equivalent N(2)Ca3Pb2 trigonal bipyramids, corners with four equivalent N(1)Ca4Pb trigonal bipyramids,  an edgeedge with one N(2)Ca3Pb2 trigonal bipyramid, edges with two equivalent N(1)Ca4Pb trigonal bipyramids, and  a faceface with one N(3)Ca4Pb square pyramid. In the third N site, N(1) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and one Pb(1) atom to form NCa4Pb trigonal bipyramids that share corners with four equivalent N(3)Ca4Pb square pyramids, corners with two equivalent N(2)Ca3Pb2 trigonal bipyramids, corners with three equivalent N(1)Ca4Pb trigonal bipyramids, edges with two equivalent N(3)Ca4Pb square pyramids, and edges with two equivalent N(2)Ca3Pb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(PbN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.034
_cell_length_c   14.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.469
_cell_angle_gamma   117.938
_symmetry_Int_Tables_number   1
_cell_volume   502.871
_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  0.000  0.403  0.750  1.0
  Ca  Ca1  1  0.000  0.597  0.250  1.0
  Ca  Ca2  1  0.233  0.835  0.052  1.0
  Ca  Ca3  1  0.767  0.602  0.448  1.0
  Ca  Ca4  1  0.767  0.165  0.948  1.0
  Ca  Ca5  1  0.233  0.398  0.552  1.0
  Ca  Ca6  1  0.304  0.076  0.717  1.0
  Ca  Ca7  1  0.696  0.772  0.783  1.0
  Ca  Ca8  1  0.696  0.924  0.283  1.0
  Ca  Ca9  1  0.304  0.228  0.217  1.0
  Pb  Pb10  1  0.623  0.955  0.585  1.0
  Pb  Pb11  1  0.377  0.332  0.915  1.0
  Pb  Pb12  1  0.377  0.045  0.415  1.0
  Pb  Pb13  1  0.623  0.668  0.085  1.0
  N  N14  1  0.350  0.699  0.682  1.0
  N  N15  1  0.650  0.350  0.818  1.0
  N  N16  1  0.650  0.301  0.318  1.0
  N  N17  1  0.350  0.650  0.182  1.0
  N  N18  1  0.516  0.255  0.552  1.0
  N  N19  1  0.484  0.740  0.948  1.0
  N  N20  1  0.484  0.745  0.448  1.0
  N  N21  1  0.516  0.260  0.052  1.0
  N  N22  1  0.956  0.070  0.649  1.0
  N  N23  1  0.044  0.114  0.851  1.0
  N  N24  1  0.044  0.930  0.351  1.0
  N  N25  1  0.956  0.886  0.149  1.0
[/CIF]
.
The compound described by Ca5(PbN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form distorted CaN4 trigonal pyramids that share corners with four equivalent Pb(1)N4 tetrahedra, corners with four equivalent Ca(3)N5 trigonal bipyramids, and edges with two equivalent Ca(3)N5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the third Ca site, Ca(3) is bonded to one N(2), two equivalent N(1), and two equivalent N(3) atoms to form distorted CaN5 trigonal bipyramids that share corners with two equivalent Pb(1)N4 tetrahedra, corners with two equivalent Ca(3)N5 trigonal bipyramids, corners with two equivalent Ca(1)N4 trigonal pyramids, edges with two equivalent Pb(1)N4 tetrahedra,  an edgeedge with one Ca(3)N5 trigonal bipyramid, and  an edgeedge with one Ca(1)N4 trigonal pyramid. Pb(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted PbN4 tetrahedra that share corners with two equivalent Ca(3)N5 trigonal bipyramids, corners with two equivalent Ca(1)N4 trigonal pyramids,  an edgeedge with one Pb(1)N4 tetrahedra, and edges with two equivalent Ca(3)N5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and two equivalent Pb(1) atoms to form distorted NCa3Pb2 trigonal bipyramids that share corners with four equivalent N(3)Ca4Pb square pyramids, corners with two equivalent N(1)Ca4Pb trigonal bipyramids,  an edgeedge with one N(3)Ca4Pb square pyramid, edges with two equivalent N(2)Ca3Pb2 trigonal bipyramids, and edges with two equivalent N(1)Ca4Pb trigonal bipyramids. In the second N site, N(3) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and one Pb(1) atom to form NCa4Pb square pyramids that share corners with four equivalent N(2)Ca3Pb2 trigonal bipyramids, corners with four equivalent N(1)Ca4Pb trigonal bipyramids,  an edgeedge with one N(2)Ca3Pb2 trigonal bipyramid, edges with two equivalent N(1)Ca4Pb trigonal bipyramids, and  a faceface with one N(3)Ca4Pb square pyramid. In the third N site, N(1) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), and one Pb(1) atom to form NCa4Pb trigonal bipyramids that share corners with four equivalent N(3)Ca4Pb square pyramids, corners with two equivalent N(2)Ca3Pb2 trigonal bipyramids, corners with three equivalent N(1)Ca4Pb trigonal bipyramids, edges with two equivalent N(3)Ca4Pb square pyramids, and edges with two equivalent N(2)Ca3Pb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(PbN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.034
_cell_length_c   14.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.469
_cell_angle_gamma   117.938
_symmetry_Int_Tables_number   1
_cell_volume   502.871
_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  0.000  0.403  0.750  1.0
  Ca  Ca1  1  0.000  0.597  0.250  1.0
  Ca  Ca2  1  0.233  0.835  0.052  1.0
  Ca  Ca3  1  0.767  0.602  0.448  1.0
  Ca  Ca4  1  0.767  0.165  0.948  1.0
  Ca  Ca5  1  0.233  0.398  0.552  1.0
  Ca  Ca6  1  0.304  0.076  0.717  1.0
  Ca  Ca7  1  0.696  0.772  0.783  1.0
  Ca  Ca8  1  0.696  0.924  0.283  1.0
  Ca  Ca9  1  0.304  0.228  0.217  1.0
  Pb  Pb10  1  0.623  0.955  0.585  1.0
  Pb  Pb11  1  0.377  0.332  0.915  1.0
  Pb  Pb12  1  0.377  0.045  0.415  1.0
  Pb  Pb13  1  0.623  0.668  0.085  1.0
  N  N14  1  0.350  0.699  0.682  1.0
  N  N15  1  0.650  0.350  0.818  1.0
  N  N16  1  0.650  0.301  0.318  1.0
  N  N17  1  0.350  0.650  0.182  1.0
  N  N18  1  0.516  0.255  0.552  1.0
  N  N19  1  0.484  0.740  0.948  1.0
  N  N20  1  0.484  0.745  0.448  1.0
  N  N21  1  0.516  0.260  0.052  1.0
  N  N22  1  0.956  0.070  0.649  1.0
  N  N23  1  0.044  0.114  0.851  1.0
  N  N24  1  0.044  0.930  0.351  1.0
  N  N25  1  0.956  0.886  0.149  1.0
[/CIF]
.