The material described by LiV2Bi2(PbO5)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a linear geometry to two equivalent Bi(1) and two equivalent O(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. Pb(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to one Li(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_LiV2Bi2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   8.414
_cell_length_c   7.156
_cell_angle_alpha   109.754
_cell_angle_beta   115.315
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.974
_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
  Li  Li0  1  0.500  0.000  0.000  1.0
  V  V1  1  0.172  0.632  0.343  1.0
  V  V2  1  0.828  0.368  0.657  1.0
  Bi  Bi3  1  0.484  0.304  0.968  1.0
  Bi  Bi4  1  0.516  0.696  0.032  1.0
  Pb  Pb5  1  0.142  0.150  0.284  1.0
  Pb  Pb6  1  0.858  0.850  0.716  1.0
  O  O7  1  0.223  0.000  0.000  1.0
  O  O8  1  0.777  0.000  0.000  1.0
  O  O9  1  0.687  0.311  0.373  1.0
  O  O10  1  0.313  0.689  0.627  1.0
  O  O11  1  0.619  0.279  0.724  1.0
  O  O12  1  0.894  0.721  0.276  1.0
  O  O13  1  0.896  0.587  0.791  1.0
  O  O14  1  0.104  0.413  0.209  1.0
  O  O15  1  0.106  0.279  0.724  1.0
  O  O16  1  0.381  0.721  0.276  1.0
[/CIF]
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The material described by LiV2Bi2(PbO5)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a linear geometry to two equivalent Bi(1) and two equivalent O(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. Pb(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to one Li(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_LiV2Bi2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   8.414
_cell_length_c   7.156
_cell_angle_alpha   109.754
_cell_angle_beta   115.315
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.974
_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
  Li  Li0  1  0.500  0.000  0.000  1.0
  V  V1  1  0.172  0.632  0.343  1.0
  V  V2  1  0.828  0.368  0.657  1.0
  Bi  Bi3  1  0.484  0.304  0.968  1.0
  Bi  Bi4  1  0.516  0.696  0.032  1.0
  Pb  Pb5  1  0.142  0.150  0.284  1.0
  Pb  Pb6  1  0.858  0.850  0.716  1.0
  O  O7  1  0.223  0.000  0.000  1.0
  O  O8  1  0.777  0.000  0.000  1.0
  O  O9  1  0.687  0.311  0.373  1.0
  O  O10  1  0.313  0.689  0.627  1.0
  O  O11  1  0.619  0.279  0.724  1.0
  O  O12  1  0.894  0.721  0.276  1.0
  O  O13  1  0.896  0.587  0.791  1.0
  O  O14  1  0.104  0.413  0.209  1.0
  O  O15  1  0.106  0.279  0.724  1.0
  O  O16  1  0.381  0.721  0.276  1.0
[/CIF]
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