The compound described by NbPb2Se2O8Cl crystallizes in the monoclinic P2_1 space group. Nb(1) is bonded to one O(1), one O(2), one O(6), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Nb(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded to one Pb(1), two equivalent Pb(2), and one Se(2) atom to form distorted corner-sharing OPb3Se tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(1), one Pb(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(1) and one Pb(2) atom. Cl(1) is bonded in a distorted L-shaped geometry to one Pb(1) and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPb2Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   8.758
_cell_length_c   10.998
_cell_angle_alpha   67.723
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.554
_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
  Nb  Nb0  1  0.483  0.341  0.068  1.0
  Nb  Nb1  1  0.983  0.659  0.932  1.0
  Pb  Pb2  1  0.933  0.185  0.796  1.0
  Pb  Pb3  1  0.433  0.815  0.204  1.0
  Pb  Pb4  1  0.977  0.692  0.517  1.0
  Pb  Pb5  1  0.477  0.308  0.483  1.0
  Se  Se6  1  0.484  0.883  0.798  1.0
  Se  Se7  1  0.984  0.117  0.202  1.0
  Se  Se8  1  0.489  0.484  0.727  1.0
  Se  Se9  1  0.989  0.516  0.273  1.0
  Cl  Cl10  1  0.005  0.139  0.548  1.0
  Cl  Cl11  1  0.505  0.861  0.452  1.0
  O  O12  1  0.698  0.825  0.929  1.0
  O  O13  1  0.198  0.175  0.071  1.0
  O  O14  1  0.213  0.876  0.884  1.0
  O  O15  1  0.713  0.124  0.116  1.0
  O  O16  1  0.536  0.089  0.734  1.0
  O  O17  1  0.036  0.911  0.266  1.0
  O  O18  1  0.714  0.439  0.631  1.0
  O  O19  1  0.214  0.561  0.369  1.0
  O  O20  1  0.237  0.421  0.664  1.0
  O  O21  1  0.737  0.579  0.336  1.0
  O  O22  1  0.554  0.319  0.871  1.0
  O  O23  1  0.054  0.681  0.129  1.0
  O  O24  1  0.289  0.531  0.964  1.0
  O  O25  1  0.789  0.469  0.036  1.0
  O  O26  1  0.423  0.327  0.233  1.0
  O  O27  1  0.923  0.673  0.767  1.0
[/CIF]
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The compound described by NbPb2Se2O8Cl crystallizes in the monoclinic P2_1 space group. Nb(1) is bonded to one O(1), one O(2), one O(6), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Nb(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded to one Pb(1), two equivalent Pb(2), and one Se(2) atom to form distorted corner-sharing OPb3Se tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(1), one Pb(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(1) and one Pb(2) atom. Cl(1) is bonded in a distorted L-shaped geometry to one Pb(1) and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPb2Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   8.758
_cell_length_c   10.998
_cell_angle_alpha   67.723
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.554
_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
  Nb  Nb0  1  0.483  0.341  0.068  1.0
  Nb  Nb1  1  0.983  0.659  0.932  1.0
  Pb  Pb2  1  0.933  0.185  0.796  1.0
  Pb  Pb3  1  0.433  0.815  0.204  1.0
  Pb  Pb4  1  0.977  0.692  0.517  1.0
  Pb  Pb5  1  0.477  0.308  0.483  1.0
  Se  Se6  1  0.484  0.883  0.798  1.0
  Se  Se7  1  0.984  0.117  0.202  1.0
  Se  Se8  1  0.489  0.484  0.727  1.0
  Se  Se9  1  0.989  0.516  0.273  1.0
  Cl  Cl10  1  0.005  0.139  0.548  1.0
  Cl  Cl11  1  0.505  0.861  0.452  1.0
  O  O12  1  0.698  0.825  0.929  1.0
  O  O13  1  0.198  0.175  0.071  1.0
  O  O14  1  0.213  0.876  0.884  1.0
  O  O15  1  0.713  0.124  0.116  1.0
  O  O16  1  0.536  0.089  0.734  1.0
  O  O17  1  0.036  0.911  0.266  1.0
  O  O18  1  0.714  0.439  0.631  1.0
  O  O19  1  0.214  0.561  0.369  1.0
  O  O20  1  0.237  0.421  0.664  1.0
  O  O21  1  0.737  0.579  0.336  1.0
  O  O22  1  0.554  0.319  0.871  1.0
  O  O23  1  0.054  0.681  0.129  1.0
  O  O24  1  0.289  0.531  0.964  1.0
  O  O25  1  0.789  0.469  0.036  1.0
  O  O26  1  0.423  0.327  0.233  1.0
  O  O27  1  0.923  0.673  0.767  1.0
[/CIF]
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