The material structure described by Cu3PbAs2H2O10 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. H(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom to form distorted corner-sharing OCu3H tetrahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pb(1), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(3), one Pb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), one Pb(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), one Pb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3As2H2PbO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   14.195
_cell_angle_alpha   76.098
_cell_angle_beta   76.098
_cell_angle_gamma   60.648
_symmetry_Int_Tables_number   1
_cell_volume   421.880
_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  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  As  As6  1  0.491  0.909  0.141  1.0
  As  As7  1  0.909  0.491  0.641  1.0
  As  As8  1  0.091  0.509  0.359  1.0
  As  As9  1  0.509  0.091  0.859  1.0
  H  H10  1  0.410  0.853  0.359  1.0
  H  H11  1  0.853  0.410  0.859  1.0
  H  H12  1  0.147  0.590  0.141  1.0
  H  H13  1  0.590  0.147  0.641  1.0
  Pb  Pb14  1  0.739  0.261  0.250  1.0
  Pb  Pb15  1  0.261  0.739  0.750  1.0
  O  O16  1  0.360  0.852  0.435  1.0
  O  O17  1  0.541  0.767  0.260  1.0
  O  O18  1  0.821  0.908  0.877  1.0
  O  O19  1  0.648  0.624  0.083  1.0
  O  O20  1  0.089  0.668  0.596  1.0
  O  O21  1  0.376  0.352  0.417  1.0
  O  O22  1  0.908  0.821  0.377  1.0
  O  O23  1  0.332  0.911  0.904  1.0
  O  O24  1  0.852  0.360  0.935  1.0
  O  O25  1  0.767  0.541  0.760  1.0
  O  O26  1  0.233  0.459  0.240  1.0
  O  O27  1  0.148  0.640  0.065  1.0
  O  O28  1  0.668  0.089  0.096  1.0
  O  O29  1  0.092  0.179  0.623  1.0
  O  O30  1  0.624  0.648  0.583  1.0
  O  O31  1  0.911  0.332  0.404  1.0
  O  O32  1  0.352  0.376  0.917  1.0
  O  O33  1  0.179  0.092  0.123  1.0
  O  O34  1  0.459  0.233  0.740  1.0
  O  O35  1  0.640  0.148  0.565  1.0
[/CIF]
.
The material structure described by Cu3PbAs2H2O10 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. H(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom to form distorted corner-sharing OCu3H tetrahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pb(1), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(3), one Pb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), one Pb(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), one Pb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3As2H2PbO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   14.195
_cell_angle_alpha   76.098
_cell_angle_beta   76.098
_cell_angle_gamma   60.648
_symmetry_Int_Tables_number   1
_cell_volume   421.880
_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  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  As  As6  1  0.491  0.909  0.141  1.0
  As  As7  1  0.909  0.491  0.641  1.0
  As  As8  1  0.091  0.509  0.359  1.0
  As  As9  1  0.509  0.091  0.859  1.0
  H  H10  1  0.410  0.853  0.359  1.0
  H  H11  1  0.853  0.410  0.859  1.0
  H  H12  1  0.147  0.590  0.141  1.0
  H  H13  1  0.590  0.147  0.641  1.0
  Pb  Pb14  1  0.739  0.261  0.250  1.0
  Pb  Pb15  1  0.261  0.739  0.750  1.0
  O  O16  1  0.360  0.852  0.435  1.0
  O  O17  1  0.541  0.767  0.260  1.0
  O  O18  1  0.821  0.908  0.877  1.0
  O  O19  1  0.648  0.624  0.083  1.0
  O  O20  1  0.089  0.668  0.596  1.0
  O  O21  1  0.376  0.352  0.417  1.0
  O  O22  1  0.908  0.821  0.377  1.0
  O  O23  1  0.332  0.911  0.904  1.0
  O  O24  1  0.852  0.360  0.935  1.0
  O  O25  1  0.767  0.541  0.760  1.0
  O  O26  1  0.233  0.459  0.240  1.0
  O  O27  1  0.148  0.640  0.065  1.0
  O  O28  1  0.668  0.089  0.096  1.0
  O  O29  1  0.092  0.179  0.623  1.0
  O  O30  1  0.624  0.648  0.583  1.0
  O  O31  1  0.911  0.332  0.404  1.0
  O  O32  1  0.352  0.376  0.917  1.0
  O  O33  1  0.179  0.092  0.123  1.0
  O  O34  1  0.459  0.233  0.740  1.0
  O  O35  1  0.640  0.148  0.565  1.0
[/CIF]
.