The compound described by U2Cu5Pb2(SeO5)6 crystallizes in the triclinic P-1 space group. U(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(13), one O(15), one O(8), one O(9), and two equivalent O(12) atoms to form edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), two equivalent O(10), and two equivalent O(14) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(15), one O(3), and one O(4) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(8) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(6), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one Pb(1), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1), one Pb(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one U(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one U(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(3), one Pb(1), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Cu(3), one Pb(1), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Pb(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to two equivalent Cu(3) atoms. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Cu5Pb2(SeO5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   10.440
_cell_length_c   11.979
_cell_angle_alpha   88.441
_cell_angle_beta   81.027
_cell_angle_gamma   87.593
_symmetry_Int_Tables_number   1
_cell_volume   664.105
_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
  U  U0  1  0.256  0.086  0.748  1.0
  U  U1  1  0.744  0.914  0.252  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.050  0.429  0.395  1.0
  Cu  Cu4  1  0.950  0.571  0.605  1.0
  Cu  Cu5  1  0.807  0.559  0.950  1.0
  Cu  Cu6  1  0.193  0.441  0.050  1.0
  Pb  Pb7  1  0.636  0.302  0.217  1.0
  Pb  Pb8  1  0.364  0.698  0.783  1.0
  Se  Se9  1  0.253  0.835  0.518  1.0
  Se  Se10  1  0.747  0.165  0.482  1.0
  Se  Se11  1  0.359  0.629  0.218  1.0
  Se  Se12  1  0.641  0.371  0.782  1.0
  Se  Se13  1  0.809  0.879  0.954  1.0
  Se  Se14  1  0.191  0.121  0.046  1.0
  O  O15  1  0.024  0.862  0.311  1.0
  O  O16  1  0.976  0.138  0.689  1.0
  O  O17  1  0.477  0.972  0.187  1.0
  O  O18  1  0.523  0.028  0.813  1.0
  O  O19  1  0.066  0.880  0.847  1.0
  O  O20  1  0.934  0.120  0.153  1.0
  O  O21  1  0.329  0.891  0.643  1.0
  O  O22  1  0.671  0.109  0.357  1.0
  O  O23  1  0.478  0.146  0.575  1.0
  O  O24  1  0.522  0.854  0.425  1.0
  O  O25  1  0.368  0.296  0.783  1.0
  O  O26  1  0.632  0.704  0.217  1.0
  O  O27  1  0.044  0.138  0.928  1.0
  O  O28  1  0.956  0.862  0.072  1.0
  O  O29  1  0.714  0.330  0.447  1.0
  O  O30  1  0.286  0.670  0.553  1.0
  O  O31  1  0.372  0.530  0.339  1.0
  O  O32  1  0.628  0.470  0.661  1.0
  O  O33  1  0.463  0.508  0.117  1.0
  O  O34  1  0.537  0.492  0.883  1.0
  O  O35  1  0.326  0.270  0.061  1.0
  O  O36  1  0.674  0.730  0.939  1.0
  O  O37  1  0.173  0.434  0.538  1.0
  O  O38  1  0.827  0.566  0.462  1.0
  O  O39  1  0.010  0.585  0.755  1.0
  O  O40  1  0.990  0.415  0.245  1.0
  O  O41  1  0.916  0.399  0.992  1.0
  O  O42  1  0.084  0.601  0.008  1.0
  O  O43  1  0.222  0.286  0.327  1.0
  O  O44  1  0.778  0.714  0.673  1.0
[/CIF]
.
The compound described by U2Cu5Pb2(SeO5)6 crystallizes in the triclinic P-1 space group. U(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(13), one O(15), one O(8), one O(9), and two equivalent O(12) atoms to form edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), two equivalent O(10), and two equivalent O(14) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(15), one O(3), and one O(4) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(8) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(6), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one Pb(1), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1), one Pb(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one U(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one U(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(3), one Pb(1), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Cu(3), one Pb(1), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Pb(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to two equivalent Cu(3) atoms. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Cu5Pb2(SeO5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   10.440
_cell_length_c   11.979
_cell_angle_alpha   88.441
_cell_angle_beta   81.027
_cell_angle_gamma   87.593
_symmetry_Int_Tables_number   1
_cell_volume   664.105
_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
  U  U0  1  0.256  0.086  0.748  1.0
  U  U1  1  0.744  0.914  0.252  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.050  0.429  0.395  1.0
  Cu  Cu4  1  0.950  0.571  0.605  1.0
  Cu  Cu5  1  0.807  0.559  0.950  1.0
  Cu  Cu6  1  0.193  0.441  0.050  1.0
  Pb  Pb7  1  0.636  0.302  0.217  1.0
  Pb  Pb8  1  0.364  0.698  0.783  1.0
  Se  Se9  1  0.253  0.835  0.518  1.0
  Se  Se10  1  0.747  0.165  0.482  1.0
  Se  Se11  1  0.359  0.629  0.218  1.0
  Se  Se12  1  0.641  0.371  0.782  1.0
  Se  Se13  1  0.809  0.879  0.954  1.0
  Se  Se14  1  0.191  0.121  0.046  1.0
  O  O15  1  0.024  0.862  0.311  1.0
  O  O16  1  0.976  0.138  0.689  1.0
  O  O17  1  0.477  0.972  0.187  1.0
  O  O18  1  0.523  0.028  0.813  1.0
  O  O19  1  0.066  0.880  0.847  1.0
  O  O20  1  0.934  0.120  0.153  1.0
  O  O21  1  0.329  0.891  0.643  1.0
  O  O22  1  0.671  0.109  0.357  1.0
  O  O23  1  0.478  0.146  0.575  1.0
  O  O24  1  0.522  0.854  0.425  1.0
  O  O25  1  0.368  0.296  0.783  1.0
  O  O26  1  0.632  0.704  0.217  1.0
  O  O27  1  0.044  0.138  0.928  1.0
  O  O28  1  0.956  0.862  0.072  1.0
  O  O29  1  0.714  0.330  0.447  1.0
  O  O30  1  0.286  0.670  0.553  1.0
  O  O31  1  0.372  0.530  0.339  1.0
  O  O32  1  0.628  0.470  0.661  1.0
  O  O33  1  0.463  0.508  0.117  1.0
  O  O34  1  0.537  0.492  0.883  1.0
  O  O35  1  0.326  0.270  0.061  1.0
  O  O36  1  0.674  0.730  0.939  1.0
  O  O37  1  0.173  0.434  0.538  1.0
  O  O38  1  0.827  0.566  0.462  1.0
  O  O39  1  0.010  0.585  0.755  1.0
  O  O40  1  0.990  0.415  0.245  1.0
  O  O41  1  0.916  0.399  0.992  1.0
  O  O42  1  0.084  0.601  0.008  1.0
  O  O43  1  0.222  0.286  0.327  1.0
  O  O44  1  0.778  0.714  0.673  1.0
[/CIF]
.