The material structure described by Ca2PbN2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to three equivalent Pb(1) and four equivalent N(1) atoms to form distorted CaPb3N4 tetrahedra that share corners with six equivalent Pb(1)Ca6N6 cuboctahedra, corners with three equivalent Ca(1)Pb3N4 tetrahedra, corners with nine equivalent N(1)Ca4Pb3 trigonal pyramids, edges with three equivalent Pb(1)Ca6N6 cuboctahedra, edges with twelve equivalent Ca(1)Pb3N4 tetrahedra, edges with three equivalent N(1)Ca4Pb3 trigonal pyramids, and  a faceface with one N(1)Ca4Pb3 trigonal pyramid. Pb(1) is bonded to six equivalent Ca(1) and six equivalent N(1) atoms to form distorted PbCa6N6 cuboctahedra that share corners with twelve equivalent Ca(1)Pb3N4 tetrahedra, corners with twelve equivalent N(1)Ca4Pb3 trigonal pyramids, edges with six equivalent Ca(1)Pb3N4 tetrahedra, edges with six equivalent N(1)Ca4Pb3 trigonal pyramids, and faces with six equivalent Pb(1)Ca6N6 cuboctahedra. N(1) is bonded to four equivalent Ca(1) and three equivalent Pb(1) atoms to form distorted NCa4Pb3 trigonal pyramids that share corners with six equivalent Pb(1)Ca6N6 cuboctahedra, corners with nine equivalent Ca(1)Pb3N4 tetrahedra, corners with three equivalent N(1)Ca4Pb3 trigonal pyramids, edges with three equivalent Pb(1)Ca6N6 cuboctahedra, edges with three equivalent Ca(1)Pb3N4 tetrahedra, edges with twelve equivalent N(1)Ca4Pb3 trigonal pyramids, and  a faceface with one Ca(1)Pb3N4 tetrahedra. is represented by the CIF file [CIF]
data_Ca2PbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.044
_cell_length_b   4.044
_cell_length_c   6.714
_cell_angle_alpha   89.994
_cell_angle_beta   90.001
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   95.074
_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  0.667  0.333  0.159  1.0
  Ca  Ca1  1  0.333  0.667  0.841  1.0
  Pb  Pb2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.667  0.333  0.772  1.0
  N  N4  1  0.333  0.667  0.228  1.0
[/CIF]
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The material structure described by Ca2PbN2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to three equivalent Pb(1) and four equivalent N(1) atoms to form distorted CaPb3N4 tetrahedra that share corners with six equivalent Pb(1)Ca6N6 cuboctahedra, corners with three equivalent Ca(1)Pb3N4 tetrahedra, corners with nine equivalent N(1)Ca4Pb3 trigonal pyramids, edges with three equivalent Pb(1)Ca6N6 cuboctahedra, edges with twelve equivalent Ca(1)Pb3N4 tetrahedra, edges with three equivalent N(1)Ca4Pb3 trigonal pyramids, and  a faceface with one N(1)Ca4Pb3 trigonal pyramid. Pb(1) is bonded to six equivalent Ca(1) and six equivalent N(1) atoms to form distorted PbCa6N6 cuboctahedra that share corners with twelve equivalent Ca(1)Pb3N4 tetrahedra, corners with twelve equivalent N(1)Ca4Pb3 trigonal pyramids, edges with six equivalent Ca(1)Pb3N4 tetrahedra, edges with six equivalent N(1)Ca4Pb3 trigonal pyramids, and faces with six equivalent Pb(1)Ca6N6 cuboctahedra. N(1) is bonded to four equivalent Ca(1) and three equivalent Pb(1) atoms to form distorted NCa4Pb3 trigonal pyramids that share corners with six equivalent Pb(1)Ca6N6 cuboctahedra, corners with nine equivalent Ca(1)Pb3N4 tetrahedra, corners with three equivalent N(1)Ca4Pb3 trigonal pyramids, edges with three equivalent Pb(1)Ca6N6 cuboctahedra, edges with three equivalent Ca(1)Pb3N4 tetrahedra, edges with twelve equivalent N(1)Ca4Pb3 trigonal pyramids, and  a faceface with one Ca(1)Pb3N4 tetrahedra. is represented by the CIF file [CIF]
data_Ca2PbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.044
_cell_length_b   4.044
_cell_length_c   6.714
_cell_angle_alpha   89.994
_cell_angle_beta   90.001
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   95.074
_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  0.667  0.333  0.159  1.0
  Ca  Ca1  1  0.333  0.667  0.841  1.0
  Pb  Pb2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.667  0.333  0.772  1.0
  N  N4  1  0.333  0.667  0.228  1.0
[/CIF]
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