The compound described by Pb3TeO3Cl4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), and one Cl(3) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one Cl(1), two equivalent Cl(3), and two equivalent Cl(4) atoms. Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(1), one Pb(3), and one Te(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pb(1), one Pb(2), and one Te(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Pb(1) and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Pb(3) atoms. is represented by the CIF file [CIF]
data_TePb3Cl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   8.631
_cell_length_c   16.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1066.170
_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
  Te  Te0  1  0.154  0.076  0.021  1.0
  Te  Te1  1  0.846  0.576  0.979  1.0
  Te  Te2  1  0.346  0.576  0.521  1.0
  Te  Te3  1  0.654  0.076  0.479  1.0
  Pb  Pb4  1  0.707  0.148  0.977  1.0
  Pb  Pb5  1  0.293  0.648  0.023  1.0
  Pb  Pb6  1  0.793  0.648  0.477  1.0
  Pb  Pb7  1  0.207  0.148  0.523  1.0
  Pb  Pb8  1  0.953  0.869  0.189  1.0
  Pb  Pb9  1  0.047  0.369  0.811  1.0
  Pb  Pb10  1  0.547  0.369  0.689  1.0
  Pb  Pb11  1  0.453  0.869  0.311  1.0
  Pb  Pb12  1  0.940  0.363  0.184  1.0
  Pb  Pb13  1  0.060  0.863  0.816  1.0
  Pb  Pb14  1  0.560  0.863  0.684  1.0
  Pb  Pb15  1  0.440  0.363  0.316  1.0
  Cl  Cl16  1  0.603  0.373  0.105  1.0
  Cl  Cl17  1  0.397  0.873  0.895  1.0
  Cl  Cl18  1  0.897  0.873  0.605  1.0
  Cl  Cl19  1  0.103  0.373  0.395  1.0
  Cl  Cl20  1  0.633  0.862  0.099  1.0
  Cl  Cl21  1  0.367  0.362  0.901  1.0
  Cl  Cl22  1  0.867  0.362  0.599  1.0
  Cl  Cl23  1  0.133  0.862  0.401  1.0
  Cl  Cl24  1  0.753  0.618  0.284  1.0
  Cl  Cl25  1  0.247  0.118  0.716  1.0
  Cl  Cl26  1  0.747  0.118  0.784  1.0
  Cl  Cl27  1  0.253  0.618  0.216  1.0
  Cl  Cl28  1  0.754  0.114  0.282  1.0
  Cl  Cl29  1  0.246  0.614  0.718  1.0
  Cl  Cl30  1  0.746  0.614  0.782  1.0
  Cl  Cl31  1  0.254  0.114  0.218  1.0
  O  O32  1  0.954  0.149  0.081  1.0
  O  O33  1  0.046  0.649  0.919  1.0
  O  O34  1  0.546  0.649  0.581  1.0
  O  O35  1  0.454  0.149  0.419  1.0
  O  O36  1  0.012  0.052  0.925  1.0
  O  O37  1  0.988  0.552  0.075  1.0
  O  O38  1  0.488  0.552  0.425  1.0
  O  O39  1  0.512  0.052  0.575  1.0
  O  O40  1  0.133  0.872  0.063  1.0
  O  O41  1  0.867  0.372  0.937  1.0
  O  O42  1  0.367  0.372  0.563  1.0
  O  O43  1  0.633  0.872  0.437  1.0
[/CIF]
.
The compound described by Pb3TeO3Cl4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), and one Cl(3) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(3), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one Cl(1), two equivalent Cl(3), and two equivalent Cl(4) atoms. Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(1), one Pb(3), and one Te(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(3), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pb(1), one Pb(2), and one Te(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Pb(1) and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Pb(3) atoms. is represented by the CIF file [CIF]
data_TePb3Cl4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   8.631
_cell_length_c   16.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1066.170
_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
  Te  Te0  1  0.154  0.076  0.021  1.0
  Te  Te1  1  0.846  0.576  0.979  1.0
  Te  Te2  1  0.346  0.576  0.521  1.0
  Te  Te3  1  0.654  0.076  0.479  1.0
  Pb  Pb4  1  0.707  0.148  0.977  1.0
  Pb  Pb5  1  0.293  0.648  0.023  1.0
  Pb  Pb6  1  0.793  0.648  0.477  1.0
  Pb  Pb7  1  0.207  0.148  0.523  1.0
  Pb  Pb8  1  0.953  0.869  0.189  1.0
  Pb  Pb9  1  0.047  0.369  0.811  1.0
  Pb  Pb10  1  0.547  0.369  0.689  1.0
  Pb  Pb11  1  0.453  0.869  0.311  1.0
  Pb  Pb12  1  0.940  0.363  0.184  1.0
  Pb  Pb13  1  0.060  0.863  0.816  1.0
  Pb  Pb14  1  0.560  0.863  0.684  1.0
  Pb  Pb15  1  0.440  0.363  0.316  1.0
  Cl  Cl16  1  0.603  0.373  0.105  1.0
  Cl  Cl17  1  0.397  0.873  0.895  1.0
  Cl  Cl18  1  0.897  0.873  0.605  1.0
  Cl  Cl19  1  0.103  0.373  0.395  1.0
  Cl  Cl20  1  0.633  0.862  0.099  1.0
  Cl  Cl21  1  0.367  0.362  0.901  1.0
  Cl  Cl22  1  0.867  0.362  0.599  1.0
  Cl  Cl23  1  0.133  0.862  0.401  1.0
  Cl  Cl24  1  0.753  0.618  0.284  1.0
  Cl  Cl25  1  0.247  0.118  0.716  1.0
  Cl  Cl26  1  0.747  0.118  0.784  1.0
  Cl  Cl27  1  0.253  0.618  0.216  1.0
  Cl  Cl28  1  0.754  0.114  0.282  1.0
  Cl  Cl29  1  0.246  0.614  0.718  1.0
  Cl  Cl30  1  0.746  0.614  0.782  1.0
  Cl  Cl31  1  0.254  0.114  0.218  1.0
  O  O32  1  0.954  0.149  0.081  1.0
  O  O33  1  0.046  0.649  0.919  1.0
  O  O34  1  0.546  0.649  0.581  1.0
  O  O35  1  0.454  0.149  0.419  1.0
  O  O36  1  0.012  0.052  0.925  1.0
  O  O37  1  0.988  0.552  0.075  1.0
  O  O38  1  0.488  0.552  0.425  1.0
  O  O39  1  0.512  0.052  0.575  1.0
  O  O40  1  0.133  0.872  0.063  1.0
  O  O41  1  0.867  0.372  0.937  1.0
  O  O42  1  0.367  0.372  0.563  1.0
  O  O43  1  0.633  0.872  0.437  1.0
[/CIF]
.