The compound described by CuPb2AsSO9 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. is represented by the CIF card [CIF]
data_CuAsPb2SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   8.474
_cell_length_c   8.660
_cell_angle_alpha   111.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.967
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  As  As2  1  0.750  0.974  0.662  1.0
  As  As3  1  0.250  0.026  0.338  1.0
  Pb  Pb4  1  0.750  0.694  0.234  1.0
  Pb  Pb5  1  0.250  0.306  0.766  1.0
  Pb  Pb6  1  0.750  0.268  0.366  1.0
  Pb  Pb7  1  0.250  0.732  0.634  1.0
  S  S8  1  0.750  0.547  0.822  1.0
  S  S9  1  0.250  0.453  0.178  1.0
  O  O10  1  0.999  0.003  0.783  1.0
  O  O11  1  0.001  0.997  0.217  1.0
  O  O12  1  0.499  0.997  0.217  1.0
  O  O13  1  0.501  0.003  0.783  1.0
  O  O14  1  0.750  0.764  0.536  1.0
  O  O15  1  0.250  0.236  0.464  1.0
  O  O16  1  0.750  0.731  0.922  1.0
  O  O17  1  0.250  0.269  0.078  1.0
  O  O18  1  0.750  0.137  0.059  1.0
  O  O19  1  0.250  0.863  0.941  1.0
  O  O20  1  0.750  0.446  0.930  1.0
  O  O21  1  0.250  0.554  0.070  1.0
  O  O22  1  0.750  0.115  0.566  1.0
  O  O23  1  0.250  0.885  0.434  1.0
  O  O24  1  0.959  0.503  0.711  1.0
  O  O25  1  0.041  0.497  0.289  1.0
  O  O26  1  0.459  0.497  0.289  1.0
  O  O27  1  0.541  0.503  0.711  1.0
[/CIF]
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The compound described by CuPb2AsSO9 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Pb(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Pb(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one S(1) atom. is represented by the CIF card [CIF]
data_CuAsPb2SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   8.474
_cell_length_c   8.660
_cell_angle_alpha   111.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.967
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  As  As2  1  0.750  0.974  0.662  1.0
  As  As3  1  0.250  0.026  0.338  1.0
  Pb  Pb4  1  0.750  0.694  0.234  1.0
  Pb  Pb5  1  0.250  0.306  0.766  1.0
  Pb  Pb6  1  0.750  0.268  0.366  1.0
  Pb  Pb7  1  0.250  0.732  0.634  1.0
  S  S8  1  0.750  0.547  0.822  1.0
  S  S9  1  0.250  0.453  0.178  1.0
  O  O10  1  0.999  0.003  0.783  1.0
  O  O11  1  0.001  0.997  0.217  1.0
  O  O12  1  0.499  0.997  0.217  1.0
  O  O13  1  0.501  0.003  0.783  1.0
  O  O14  1  0.750  0.764  0.536  1.0
  O  O15  1  0.250  0.236  0.464  1.0
  O  O16  1  0.750  0.731  0.922  1.0
  O  O17  1  0.250  0.269  0.078  1.0
  O  O18  1  0.750  0.137  0.059  1.0
  O  O19  1  0.250  0.863  0.941  1.0
  O  O20  1  0.750  0.446  0.930  1.0
  O  O21  1  0.250  0.554  0.070  1.0
  O  O22  1  0.750  0.115  0.566  1.0
  O  O23  1  0.250  0.885  0.434  1.0
  O  O24  1  0.959  0.503  0.711  1.0
  O  O25  1  0.041  0.497  0.289  1.0
  O  O26  1  0.459  0.497  0.289  1.0
  O  O27  1  0.541  0.503  0.711  1.0
[/CIF]
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