The material described by Co3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing CoN4 tetrahedra. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of edge and corner-sharing CoN4 tetrahedra. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted edge and corner-sharing CoN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in an L-shaped geometry to one N(2) and one N(3) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(5) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Co(2), one Co(3), one Pb(1), one Pb(2), and one Pb(3) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Co(1), one Pb(1), and one Pb(2) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Co(1), one Co(3), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Co3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.795
_cell_length_b   7.522
_cell_length_c   8.082
_cell_angle_alpha   107.007
_cell_angle_beta   100.919
_cell_angle_gamma   96.629
_symmetry_Int_Tables_number   1
_cell_volume   325.272
_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
  Co  Co0  1  0.910  0.314  0.975  1.0
  Co  Co1  1  0.090  0.686  0.025  1.0
  Co  Co2  1  0.675  0.984  0.593  1.0
  Co  Co3  1  0.325  0.016  0.407  1.0
  Co  Co4  1  0.121  0.929  0.733  1.0
  Co  Co5  1  0.879  0.071  0.267  1.0
  Pb  Pb6  1  0.765  0.451  0.578  1.0
  Pb  Pb7  1  0.235  0.549  0.422  1.0
  Pb  Pb8  1  0.639  0.827  0.880  1.0
  Pb  Pb9  1  0.361  0.173  0.120  1.0
  Pb  Pb10  1  0.705  0.668  0.251  1.0
  Pb  Pb11  1  0.295  0.332  0.749  1.0
  N  N12  1  0.938  0.138  0.771  1.0
  N  N13  1  0.062  0.862  0.229  1.0
  N  N14  1  0.836  0.781  0.594  1.0
  N  N15  1  0.164  0.219  0.406  1.0
  N  N16  1  0.808  0.516  0.893  1.0
  N  N17  1  0.192  0.484  0.107  1.0
  N  N18  1  0.364  0.978  0.626  1.0
  N  N19  1  0.636  0.022  0.374  1.0
  N  N20  1  0.198  0.814  0.896  1.0
  N  N21  1  0.802  0.186  0.104  1.0
[/CIF]
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The material described by Co3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing CoN4 tetrahedra. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of edge and corner-sharing CoN4 tetrahedra. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted edge and corner-sharing CoN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in an L-shaped geometry to one N(2) and one N(3) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(5) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Co(2), one Co(3), one Pb(1), one Pb(2), and one Pb(3) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Co(1), one Pb(1), and one Pb(2) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Co(1), one Co(3), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Co3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.795
_cell_length_b   7.522
_cell_length_c   8.082
_cell_angle_alpha   107.007
_cell_angle_beta   100.919
_cell_angle_gamma   96.629
_symmetry_Int_Tables_number   1
_cell_volume   325.272
_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
  Co  Co0  1  0.910  0.314  0.975  1.0
  Co  Co1  1  0.090  0.686  0.025  1.0
  Co  Co2  1  0.675  0.984  0.593  1.0
  Co  Co3  1  0.325  0.016  0.407  1.0
  Co  Co4  1  0.121  0.929  0.733  1.0
  Co  Co5  1  0.879  0.071  0.267  1.0
  Pb  Pb6  1  0.765  0.451  0.578  1.0
  Pb  Pb7  1  0.235  0.549  0.422  1.0
  Pb  Pb8  1  0.639  0.827  0.880  1.0
  Pb  Pb9  1  0.361  0.173  0.120  1.0
  Pb  Pb10  1  0.705  0.668  0.251  1.0
  Pb  Pb11  1  0.295  0.332  0.749  1.0
  N  N12  1  0.938  0.138  0.771  1.0
  N  N13  1  0.062  0.862  0.229  1.0
  N  N14  1  0.836  0.781  0.594  1.0
  N  N15  1  0.164  0.219  0.406  1.0
  N  N16  1  0.808  0.516  0.893  1.0
  N  N17  1  0.192  0.484  0.107  1.0
  N  N18  1  0.364  0.978  0.626  1.0
  N  N19  1  0.636  0.022  0.374  1.0
  N  N20  1  0.198  0.814  0.896  1.0
  N  N21  1  0.802  0.186  0.104  1.0
[/CIF]
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