The structure described by Mn3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing MnN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to one N(2) and one N(4) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one N(3), one N(4), and one N(5) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Mn(2), one Mn(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Mn(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mn(3), two equivalent Mn(2), one Pb(1), one Pb(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(3), and one Pb(2) atom. is represented by the CIF card [CIF]
data_Mn3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   7.463
_cell_length_c   8.305
_cell_angle_alpha   103.364
_cell_angle_beta   99.710
_cell_angle_gamma   96.427
_symmetry_Int_Tables_number   1
_cell_volume   333.168
_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
  Mn  Mn0  1  0.935  0.323  0.971  1.0
  Mn  Mn1  1  0.065  0.677  0.029  1.0
  Mn  Mn2  1  0.683  0.991  0.597  1.0
  Mn  Mn3  1  0.317  0.009  0.403  1.0
  Mn  Mn4  1  0.079  0.926  0.723  1.0
  Mn  Mn5  1  0.921  0.074  0.277  1.0
  Pb  Pb6  1  0.761  0.437  0.542  1.0
  Pb  Pb7  1  0.239  0.563  0.458  1.0
  Pb  Pb8  1  0.569  0.805  0.865  1.0
  Pb  Pb9  1  0.431  0.195  0.135  1.0
  Pb  Pb10  1  0.622  0.668  0.228  1.0
  Pb  Pb11  1  0.378  0.332  0.772  1.0
  N  N12  1  0.923  0.137  0.775  1.0
  N  N13  1  0.077  0.863  0.225  1.0
  N  N14  1  0.823  0.787  0.573  1.0
  N  N15  1  0.177  0.213  0.427  1.0
  N  N16  1  0.772  0.523  0.970  1.0
  N  N17  1  0.228  0.477  0.030  1.0
  N  N18  1  0.346  0.950  0.608  1.0
  N  N19  1  0.654  0.050  0.392  1.0
  N  N20  1  0.119  0.810  0.887  1.0
  N  N21  1  0.881  0.190  0.113  1.0
[/CIF]
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The structure described by Mn3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing MnN4 tetrahedra. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing MnN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to one N(2) and one N(4) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one N(3), one N(4), and one N(5) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Mn(2), one Mn(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Mn(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mn(3), two equivalent Mn(2), one Pb(1), one Pb(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(3), and one Pb(2) atom. is represented by the CIF card [CIF]
data_Mn3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   7.463
_cell_length_c   8.305
_cell_angle_alpha   103.364
_cell_angle_beta   99.710
_cell_angle_gamma   96.427
_symmetry_Int_Tables_number   1
_cell_volume   333.168
_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
  Mn  Mn0  1  0.935  0.323  0.971  1.0
  Mn  Mn1  1  0.065  0.677  0.029  1.0
  Mn  Mn2  1  0.683  0.991  0.597  1.0
  Mn  Mn3  1  0.317  0.009  0.403  1.0
  Mn  Mn4  1  0.079  0.926  0.723  1.0
  Mn  Mn5  1  0.921  0.074  0.277  1.0
  Pb  Pb6  1  0.761  0.437  0.542  1.0
  Pb  Pb7  1  0.239  0.563  0.458  1.0
  Pb  Pb8  1  0.569  0.805  0.865  1.0
  Pb  Pb9  1  0.431  0.195  0.135  1.0
  Pb  Pb10  1  0.622  0.668  0.228  1.0
  Pb  Pb11  1  0.378  0.332  0.772  1.0
  N  N12  1  0.923  0.137  0.775  1.0
  N  N13  1  0.077  0.863  0.225  1.0
  N  N14  1  0.823  0.787  0.573  1.0
  N  N15  1  0.177  0.213  0.427  1.0
  N  N16  1  0.772  0.523  0.970  1.0
  N  N17  1  0.228  0.477  0.030  1.0
  N  N18  1  0.346  0.950  0.608  1.0
  N  N19  1  0.654  0.050  0.392  1.0
  N  N20  1  0.119  0.810  0.887  1.0
  N  N21  1  0.881  0.190  0.113  1.0
[/CIF]
.