The crystal structure described by LiBi2As2(PbO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Pb(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiBi2As2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   9.120
_cell_length_c   7.523
_cell_angle_alpha   118.174
_cell_angle_beta   117.733
_cell_angle_gamma   86.822
_symmetry_Int_Tables_number   1
_cell_volume   309.451
_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  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.098  0.310  0.974  1.0
  Bi  Bi2  1  0.902  0.690  0.026  1.0
  As  As3  1  0.647  0.660  0.385  1.0
  As  As4  1  0.353  0.340  0.615  1.0
  Pb  Pb5  1  0.310  0.815  0.707  1.0
  Pb  Pb6  1  0.690  0.185  0.293  1.0
  O  O7  1  0.146  0.291  0.330  1.0
  O  O8  1  0.389  0.761  0.358  1.0
  O  O9  1  0.854  0.709  0.670  1.0
  O  O10  1  0.533  0.440  0.199  1.0
  O  O11  1  0.145  0.267  0.675  1.0
  O  O12  1  0.855  0.733  0.325  1.0
  O  O13  1  0.245  0.073  0.944  1.0
  O  O14  1  0.755  0.927  0.056  1.0
  O  O15  1  0.467  0.560  0.801  1.0
  O  O16  1  0.611  0.239  0.642  1.0
[/CIF]
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The crystal structure described by LiBi2As2(PbO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Pb(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiBi2As2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   9.120
_cell_length_c   7.523
_cell_angle_alpha   118.174
_cell_angle_beta   117.733
_cell_angle_gamma   86.822
_symmetry_Int_Tables_number   1
_cell_volume   309.451
_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  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.098  0.310  0.974  1.0
  Bi  Bi2  1  0.902  0.690  0.026  1.0
  As  As3  1  0.647  0.660  0.385  1.0
  As  As4  1  0.353  0.340  0.615  1.0
  Pb  Pb5  1  0.310  0.815  0.707  1.0
  Pb  Pb6  1  0.690  0.185  0.293  1.0
  O  O7  1  0.146  0.291  0.330  1.0
  O  O8  1  0.389  0.761  0.358  1.0
  O  O9  1  0.854  0.709  0.670  1.0
  O  O10  1  0.533  0.440  0.199  1.0
  O  O11  1  0.145  0.267  0.675  1.0
  O  O12  1  0.855  0.733  0.325  1.0
  O  O13  1  0.245  0.073  0.944  1.0
  O  O14  1  0.755  0.927  0.056  1.0
  O  O15  1  0.467  0.560  0.801  1.0
  O  O16  1  0.611  0.239  0.642  1.0
[/CIF]
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