The material described by Ca2PbN2 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN5 square pyramids. Pb(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Pb(1) atom to form a mixture of corner and edge-sharing NCa5Pb octahedra. The corner-sharing octahedral tilt angles range from 7-23°. is represented by the CIF card [CIF]
data_Ca2PbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.597
_cell_length_b   3.607
_cell_length_c   13.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.471
_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  0.750  0.752  0.081  1.0
  Ca  Ca1  1  0.750  0.752  0.419  1.0
  Ca  Ca2  1  0.250  0.248  0.919  1.0
  Ca  Ca3  1  0.250  0.248  0.581  1.0
  Pb  Pb4  1  0.750  0.652  0.750  1.0
  Pb  Pb5  1  0.250  0.348  0.250  1.0
  N  N6  1  0.750  0.778  0.592  1.0
  N  N7  1  0.750  0.778  0.908  1.0
  N  N8  1  0.250  0.222  0.408  1.0
  N  N9  1  0.250  0.222  0.092  1.0
[/CIF]
.
The material described by Ca2PbN2 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN5 square pyramids. Pb(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Pb(1) atom to form a mixture of corner and edge-sharing NCa5Pb octahedra. The corner-sharing octahedral tilt angles range from 7-23°. is represented by the CIF card [CIF]
data_Ca2PbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.597
_cell_length_b   3.607
_cell_length_c   13.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.471
_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  0.750  0.752  0.081  1.0
  Ca  Ca1  1  0.750  0.752  0.419  1.0
  Ca  Ca2  1  0.250  0.248  0.919  1.0
  Ca  Ca3  1  0.250  0.248  0.581  1.0
  Pb  Pb4  1  0.750  0.652  0.750  1.0
  Pb  Pb5  1  0.250  0.348  0.250  1.0
  N  N6  1  0.750  0.778  0.592  1.0
  N  N7  1  0.750  0.778  0.908  1.0
  N  N8  1  0.250  0.222  0.408  1.0
  N  N9  1  0.250  0.222  0.092  1.0
[/CIF]
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