The structure described by Li2Pb2CuB4O10 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to one O(1), one O(2), one O(3), and one O(5) atom. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one B(2), and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuB4(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   8.708
_cell_length_c   13.914
_cell_angle_alpha   56.222
_cell_angle_beta   56.222
_cell_angle_gamma   32.075
_symmetry_Int_Tables_number   1
_cell_volume   456.960
_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
  Li  Li0  1  0.132  0.500  0.133  1.0
  Li  Li1  1  0.500  0.868  0.367  1.0
  Li  Li2  1  0.868  0.500  0.867  1.0
  Li  Li3  1  0.500  0.132  0.633  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  B  B6  1  0.034  0.663  0.318  1.0
  B  B7  1  0.337  0.966  0.182  1.0
  B  B8  1  0.966  0.337  0.682  1.0
  B  B9  1  0.663  0.034  0.818  1.0
  B  B10  1  0.083  0.666  0.479  1.0
  B  B11  1  0.334  0.917  0.021  1.0
  B  B12  1  0.917  0.334  0.521  1.0
  B  B13  1  0.666  0.083  0.979  1.0
  Pb  Pb14  1  0.651  0.285  0.140  1.0
  Pb  Pb15  1  0.715  0.349  0.360  1.0
  Pb  Pb16  1  0.349  0.715  0.860  1.0
  Pb  Pb17  1  0.285  0.651  0.640  1.0
  O  O18  1  0.179  0.568  0.216  1.0
  O  O19  1  0.432  0.821  0.284  1.0
  O  O20  1  0.821  0.432  0.784  1.0
  O  O21  1  0.568  0.179  0.716  1.0
  O  O22  1  0.147  0.259  0.145  1.0
  O  O23  1  0.741  0.853  0.355  1.0
  O  O24  1  0.853  0.741  0.855  1.0
  O  O25  1  0.259  0.147  0.645  1.0
  O  O26  1  0.869  0.797  0.029  1.0
  O  O27  1  0.203  0.131  0.471  1.0
  O  O28  1  0.131  0.203  0.971  1.0
  O  O29  1  0.797  0.869  0.529  1.0
  O  O30  1  0.195  0.572  0.379  1.0
  O  O31  1  0.428  0.805  0.121  1.0
  O  O32  1  0.805  0.428  0.621  1.0
  O  O33  1  0.572  0.195  0.879  1.0
  O  O34  1  0.536  0.297  0.018  1.0
  O  O35  1  0.703  0.464  0.482  1.0
  O  O36  1  0.464  0.703  0.982  1.0
  O  O37  1  0.297  0.536  0.518  1.0
[/CIF]
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The structure described by Li2Pb2CuB4O10 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to one O(1), one O(2), one O(3), and one O(5) atom. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one B(2), and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuB4(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.708
_cell_length_b   8.708
_cell_length_c   13.914
_cell_angle_alpha   56.222
_cell_angle_beta   56.222
_cell_angle_gamma   32.075
_symmetry_Int_Tables_number   1
_cell_volume   456.960
_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
  Li  Li0  1  0.132  0.500  0.133  1.0
  Li  Li1  1  0.500  0.868  0.367  1.0
  Li  Li2  1  0.868  0.500  0.867  1.0
  Li  Li3  1  0.500  0.132  0.633  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  B  B6  1  0.034  0.663  0.318  1.0
  B  B7  1  0.337  0.966  0.182  1.0
  B  B8  1  0.966  0.337  0.682  1.0
  B  B9  1  0.663  0.034  0.818  1.0
  B  B10  1  0.083  0.666  0.479  1.0
  B  B11  1  0.334  0.917  0.021  1.0
  B  B12  1  0.917  0.334  0.521  1.0
  B  B13  1  0.666  0.083  0.979  1.0
  Pb  Pb14  1  0.651  0.285  0.140  1.0
  Pb  Pb15  1  0.715  0.349  0.360  1.0
  Pb  Pb16  1  0.349  0.715  0.860  1.0
  Pb  Pb17  1  0.285  0.651  0.640  1.0
  O  O18  1  0.179  0.568  0.216  1.0
  O  O19  1  0.432  0.821  0.284  1.0
  O  O20  1  0.821  0.432  0.784  1.0
  O  O21  1  0.568  0.179  0.716  1.0
  O  O22  1  0.147  0.259  0.145  1.0
  O  O23  1  0.741  0.853  0.355  1.0
  O  O24  1  0.853  0.741  0.855  1.0
  O  O25  1  0.259  0.147  0.645  1.0
  O  O26  1  0.869  0.797  0.029  1.0
  O  O27  1  0.203  0.131  0.471  1.0
  O  O28  1  0.131  0.203  0.971  1.0
  O  O29  1  0.797  0.869  0.529  1.0
  O  O30  1  0.195  0.572  0.379  1.0
  O  O31  1  0.428  0.805  0.121  1.0
  O  O32  1  0.805  0.428  0.621  1.0
  O  O33  1  0.572  0.195  0.879  1.0
  O  O34  1  0.536  0.297  0.018  1.0
  O  O35  1  0.703  0.464  0.482  1.0
  O  O36  1  0.464  0.703  0.982  1.0
  O  O37  1  0.297  0.536  0.518  1.0
[/CIF]
.