The material described by LiBi2As2(PbO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one Pb(2), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(7), one O(8), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted BiO5 square pyramids that share  a cornercorner with one As(2)O4 tetrahedra and corners with two equivalent As(1)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Bi(2)O5 square pyramids. In the second As site, As(2) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Bi(2)O5 square pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Bi(2), 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(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Pb(2) and one As(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Pb(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), one Bi(1), and one As(2) atom. is represented by the CIF file [CIF]
data_LiBi2As2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   7.495
_cell_length_c   7.539
_cell_angle_alpha   111.065
_cell_angle_beta   114.101
_cell_angle_gamma   85.156
_symmetry_Int_Tables_number   1
_cell_volume   281.324
_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  0.579  0.814  0.066  1.0
  Bi  Bi1  1  0.967  0.218  0.035  1.0
  Bi  Bi2  1  0.029  0.728  0.931  1.0
  As  As3  1  0.684  0.637  0.340  1.0
  As  As4  1  0.315  0.368  0.662  1.0
  Pb  Pb5  1  0.363  0.899  0.670  1.0
  Pb  Pb6  1  0.664  0.170  0.405  1.0
  O  O7  1  0.247  0.299  0.390  1.0
  O  O8  1  0.407  0.740  0.236  1.0
  O  O9  1  0.736  0.712  0.602  1.0
  O  O10  1  0.674  0.390  0.239  1.0
  O  O11  1  0.060  0.301  0.699  1.0
  O  O12  1  0.890  0.740  0.291  1.0
  O  O13  1  0.219  0.981  0.966  1.0
  O  O14  1  0.763  0.970  0.000  1.0
  O  O15  1  0.345  0.628  0.790  1.0
  O  O16  1  0.592  0.231  0.744  1.0
[/CIF]
.
The material described by LiBi2As2(PbO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one Pb(2), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(7), one O(8), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted BiO5 square pyramids that share  a cornercorner with one As(2)O4 tetrahedra and corners with two equivalent As(1)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Bi(2)O5 square pyramids. In the second As site, As(2) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Bi(2)O5 square pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Bi(2), 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(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Pb(2) and one As(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Pb(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Bi(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), one Bi(1), and one As(2) atom. is represented by the CIF file [CIF]
data_LiBi2As2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   7.495
_cell_length_c   7.539
_cell_angle_alpha   111.065
_cell_angle_beta   114.101
_cell_angle_gamma   85.156
_symmetry_Int_Tables_number   1
_cell_volume   281.324
_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  0.579  0.814  0.066  1.0
  Bi  Bi1  1  0.967  0.218  0.035  1.0
  Bi  Bi2  1  0.029  0.728  0.931  1.0
  As  As3  1  0.684  0.637  0.340  1.0
  As  As4  1  0.315  0.368  0.662  1.0
  Pb  Pb5  1  0.363  0.899  0.670  1.0
  Pb  Pb6  1  0.664  0.170  0.405  1.0
  O  O7  1  0.247  0.299  0.390  1.0
  O  O8  1  0.407  0.740  0.236  1.0
  O  O9  1  0.736  0.712  0.602  1.0
  O  O10  1  0.674  0.390  0.239  1.0
  O  O11  1  0.060  0.301  0.699  1.0
  O  O12  1  0.890  0.740  0.291  1.0
  O  O13  1  0.219  0.981  0.966  1.0
  O  O14  1  0.763  0.970  0.000  1.0
  O  O15  1  0.345  0.628  0.790  1.0
  O  O16  1  0.592  0.231  0.744  1.0
[/CIF]
.