The crystal structure described by Tl2PbCu(NO2)6 crystallizes in the cubic Fm-3 space group. The structure consists of eight 7440-28-0 atoms inside a CuPb(NO2)6 framework. In the CuPb(NO2)6 framework, Cu(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. Pb(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Pb(1) and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2CuPb(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   316.204
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.800  0.200  0.200  1.0
  N  N5  1  0.200  0.800  0.200  1.0
  N  N6  1  0.800  0.800  0.200  1.0
  N  N7  1  0.200  0.800  0.800  1.0
  N  N8  1  0.800  0.200  0.800  1.0
  N  N9  1  0.200  0.200  0.800  1.0
  O  O10  1  0.839  0.161  0.360  1.0
  O  O11  1  0.161  0.640  0.360  1.0
  O  O12  1  0.640  0.839  0.360  1.0
  O  O13  1  0.161  0.839  0.640  1.0
  O  O14  1  0.839  0.360  0.640  1.0
  O  O15  1  0.360  0.161  0.640  1.0
  O  O16  1  0.640  0.360  0.161  1.0
  O  O17  1  0.161  0.360  0.839  1.0
  O  O18  1  0.360  0.640  0.839  1.0
  O  O19  1  0.839  0.640  0.161  1.0
  O  O20  1  0.360  0.839  0.161  1.0
  O  O21  1  0.640  0.161  0.839  1.0
[/CIF]
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The crystal structure described by Tl2PbCu(NO2)6 crystallizes in the cubic Fm-3 space group. The structure consists of eight 7440-28-0 atoms inside a CuPb(NO2)6 framework. In the CuPb(NO2)6 framework, Cu(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. Pb(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. N(1) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Pb(1) and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2CuPb(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   316.204
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.800  0.200  0.200  1.0
  N  N5  1  0.200  0.800  0.200  1.0
  N  N6  1  0.800  0.800  0.200  1.0
  N  N7  1  0.200  0.800  0.800  1.0
  N  N8  1  0.800  0.200  0.800  1.0
  N  N9  1  0.200  0.200  0.800  1.0
  O  O10  1  0.839  0.161  0.360  1.0
  O  O11  1  0.161  0.640  0.360  1.0
  O  O12  1  0.640  0.839  0.360  1.0
  O  O13  1  0.161  0.839  0.640  1.0
  O  O14  1  0.839  0.360  0.640  1.0
  O  O15  1  0.360  0.161  0.640  1.0
  O  O16  1  0.640  0.360  0.161  1.0
  O  O17  1  0.161  0.360  0.839  1.0
  O  O18  1  0.360  0.640  0.839  1.0
  O  O19  1  0.839  0.640  0.161  1.0
  O  O20  1  0.360  0.839  0.161  1.0
  O  O21  1  0.640  0.161  0.839  1.0
[/CIF]
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