The material described by Cr2Pb3N4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second Pb site, Pb(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Pb(1), and two equivalent Pb(2) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Pb(1) atom. is represented by the CIF card [CIF]
data_Cr2Pb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   9.933
_cell_length_c   9.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   630.880
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.750  0.500  0.711  1.0
  Cr  Cr1  1  0.750  0.000  0.789  1.0
  Cr  Cr2  1  0.250  0.500  0.289  1.0
  Cr  Cr3  1  0.250  0.000  0.211  1.0
  Cr  Cr4  1  0.739  0.250  0.750  1.0
  Cr  Cr5  1  0.761  0.750  0.750  1.0
  Cr  Cr6  1  0.261  0.750  0.250  1.0
  Cr  Cr7  1  0.239  0.250  0.250  1.0
  Pb  Pb8  1  0.600  0.162  0.431  1.0
  Pb  Pb9  1  0.900  0.838  0.431  1.0
  Pb  Pb10  1  0.600  0.338  0.069  1.0
  Pb  Pb11  1  0.900  0.662  0.069  1.0
  Pb  Pb12  1  0.400  0.838  0.569  1.0
  Pb  Pb13  1  0.100  0.162  0.569  1.0
  Pb  Pb14  1  0.400  0.662  0.931  1.0
  Pb  Pb15  1  0.100  0.338  0.931  1.0
  Pb  Pb16  1  0.750  0.500  0.393  1.0
  Pb  Pb17  1  0.750  0.000  0.107  1.0
  Pb  Pb18  1  0.250  0.500  0.607  1.0
  Pb  Pb19  1  0.250  0.000  0.893  1.0
  N  N20  1  0.889  0.357  0.625  1.0
  N  N21  1  0.611  0.643  0.625  1.0
  N  N22  1  0.889  0.143  0.875  1.0
  N  N23  1  0.611  0.857  0.875  1.0
  N  N24  1  0.111  0.643  0.375  1.0
  N  N25  1  0.389  0.357  0.375  1.0
  N  N26  1  0.111  0.857  0.125  1.0
  N  N27  1  0.389  0.143  0.125  1.0
  N  N28  1  0.591  0.391  0.816  1.0
  N  N29  1  0.909  0.609  0.816  1.0
  N  N30  1  0.591  0.109  0.684  1.0
  N  N31  1  0.909  0.891  0.684  1.0
  N  N32  1  0.409  0.609  0.184  1.0
  N  N33  1  0.091  0.391  0.184  1.0
  N  N34  1  0.409  0.891  0.316  1.0
  N  N35  1  0.091  0.109  0.316  1.0
[/CIF]
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The material described by Cr2Pb3N4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second Pb site, Pb(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Pb(1), and two equivalent Pb(2) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Pb(1) atom. is represented by the CIF card [CIF]
data_Cr2Pb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   9.933
_cell_length_c   9.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   630.880
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.750  0.500  0.711  1.0
  Cr  Cr1  1  0.750  0.000  0.789  1.0
  Cr  Cr2  1  0.250  0.500  0.289  1.0
  Cr  Cr3  1  0.250  0.000  0.211  1.0
  Cr  Cr4  1  0.739  0.250  0.750  1.0
  Cr  Cr5  1  0.761  0.750  0.750  1.0
  Cr  Cr6  1  0.261  0.750  0.250  1.0
  Cr  Cr7  1  0.239  0.250  0.250  1.0
  Pb  Pb8  1  0.600  0.162  0.431  1.0
  Pb  Pb9  1  0.900  0.838  0.431  1.0
  Pb  Pb10  1  0.600  0.338  0.069  1.0
  Pb  Pb11  1  0.900  0.662  0.069  1.0
  Pb  Pb12  1  0.400  0.838  0.569  1.0
  Pb  Pb13  1  0.100  0.162  0.569  1.0
  Pb  Pb14  1  0.400  0.662  0.931  1.0
  Pb  Pb15  1  0.100  0.338  0.931  1.0
  Pb  Pb16  1  0.750  0.500  0.393  1.0
  Pb  Pb17  1  0.750  0.000  0.107  1.0
  Pb  Pb18  1  0.250  0.500  0.607  1.0
  Pb  Pb19  1  0.250  0.000  0.893  1.0
  N  N20  1  0.889  0.357  0.625  1.0
  N  N21  1  0.611  0.643  0.625  1.0
  N  N22  1  0.889  0.143  0.875  1.0
  N  N23  1  0.611  0.857  0.875  1.0
  N  N24  1  0.111  0.643  0.375  1.0
  N  N25  1  0.389  0.357  0.375  1.0
  N  N26  1  0.111  0.857  0.125  1.0
  N  N27  1  0.389  0.143  0.125  1.0
  N  N28  1  0.591  0.391  0.816  1.0
  N  N29  1  0.909  0.609  0.816  1.0
  N  N30  1  0.591  0.109  0.684  1.0
  N  N31  1  0.909  0.891  0.684  1.0
  N  N32  1  0.409  0.609  0.184  1.0
  N  N33  1  0.091  0.391  0.184  1.0
  N  N34  1  0.409  0.891  0.316  1.0
  N  N35  1  0.091  0.109  0.316  1.0
[/CIF]
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