The material structure described by LiSi3BiO8 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(16), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(15), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(12), one O(14), one O(15), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the sixth Si site, Si(6) is bonded to one O(12), one O(13), one O(16), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(2), one O(3), and one O(4) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(5), and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Si(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(2) and one Si(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Si(3), one Bi(1), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Si(5), one Si(6), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(6), and one Bi(2) atom. is represented by the CIF card [CIF]
data_LiSi3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.750
_cell_length_b   7.750
_cell_length_c   12.958
_cell_angle_alpha   83.615
_cell_angle_beta   83.615
_cell_angle_gamma   113.065
_symmetry_Int_Tables_number   1
_cell_volume   701.307
_cell_formula_units_Z   4
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  0.587  0.863  0.823  1.0
  Li  Li1  1  0.863  0.587  0.323  1.0
  Li  Li2  1  0.198  0.065  0.623  1.0
  Li  Li3  1  0.065  0.198  0.123  1.0
  Si  Si4  1  0.373  0.110  0.838  1.0
  Si  Si5  1  0.936  0.824  0.877  1.0
  Si  Si6  1  0.276  0.448  0.896  1.0
  Si  Si7  1  0.110  0.373  0.338  1.0
  Si  Si8  1  0.552  0.724  0.598  1.0
  Si  Si9  1  0.824  0.936  0.377  1.0
  Si  Si10  1  0.448  0.276  0.396  1.0
  Si  Si11  1  0.127  0.412  0.671  1.0
  Si  Si12  1  0.884  0.648  0.665  1.0
  Si  Si13  1  0.724  0.552  0.098  1.0
  Si  Si14  1  0.648  0.884  0.165  1.0
  Si  Si15  1  0.412  0.127  0.171  1.0
  Bi  Bi16  1  0.643  0.183  0.584  1.0
  Bi  Bi17  1  0.807  0.211  0.934  1.0
  Bi  Bi18  1  0.183  0.643  0.084  1.0
  Bi  Bi19  1  0.211  0.807  0.434  1.0
  O  O20  1  0.166  0.922  0.870  1.0
  O  O21  1  0.422  0.650  0.914  1.0
  O  O22  1  0.569  0.884  0.672  1.0
  O  O23  1  0.424  0.166  0.709  1.0
  O  O24  1  0.527  0.052  0.890  1.0
  O  O25  1  0.362  0.288  0.891  1.0
  O  O26  1  0.842  0.977  0.872  1.0
  O  O27  1  0.650  0.422  0.414  1.0
  O  O28  1  0.922  0.166  0.370  1.0
  O  O29  1  0.166  0.424  0.209  1.0
  O  O30  1  0.884  0.569  0.172  1.0
  O  O31  1  0.067  0.212  0.637  1.0
  O  O32  1  0.671  0.595  0.633  1.0
  O  O33  1  0.052  0.527  0.390  1.0
  O  O34  1  0.651  0.851  0.480  1.0
  O  O35  1  0.389  0.102  0.500  1.0
  O  O36  1  0.928  0.456  0.668  1.0
  O  O37  1  0.977  0.842  0.372  1.0
  O  O38  1  0.288  0.362  0.391  1.0
  O  O39  1  0.879  0.706  0.780  1.0
  O  O40  1  0.157  0.433  0.795  1.0
  O  O41  1  0.325  0.587  0.597  1.0
  O  O42  1  0.056  0.814  0.583  1.0
  O  O43  1  0.212  0.067  0.137  1.0
  O  O44  1  0.595  0.671  0.133  1.0
  O  O45  1  0.102  0.389  1.000  1.0
  O  O46  1  0.851  0.651  0.980  1.0
  O  O47  1  0.456  0.928  0.168  1.0
  O  O48  1  0.433  0.157  0.295  1.0
  O  O49  1  0.706  0.879  0.280  1.0
  O  O50  1  0.814  0.056  0.083  1.0
  O  O51  1  0.587  0.325  0.097  1.0
[/CIF]
.
The material structure described by LiSi3BiO8 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(16), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(15), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(12), one O(14), one O(15), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the sixth Si site, Si(6) is bonded to one O(12), one O(13), one O(16), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(2), one O(3), and one O(4) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(5), and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Si(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(2) and one Si(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Si(3), one Bi(1), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Si(5), one Si(6), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(6), and one Bi(2) atom. is represented by the CIF card [CIF]
data_LiSi3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.750
_cell_length_b   7.750
_cell_length_c   12.958
_cell_angle_alpha   83.615
_cell_angle_beta   83.615
_cell_angle_gamma   113.065
_symmetry_Int_Tables_number   1
_cell_volume   701.307
_cell_formula_units_Z   4
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  0.587  0.863  0.823  1.0
  Li  Li1  1  0.863  0.587  0.323  1.0
  Li  Li2  1  0.198  0.065  0.623  1.0
  Li  Li3  1  0.065  0.198  0.123  1.0
  Si  Si4  1  0.373  0.110  0.838  1.0
  Si  Si5  1  0.936  0.824  0.877  1.0
  Si  Si6  1  0.276  0.448  0.896  1.0
  Si  Si7  1  0.110  0.373  0.338  1.0
  Si  Si8  1  0.552  0.724  0.598  1.0
  Si  Si9  1  0.824  0.936  0.377  1.0
  Si  Si10  1  0.448  0.276  0.396  1.0
  Si  Si11  1  0.127  0.412  0.671  1.0
  Si  Si12  1  0.884  0.648  0.665  1.0
  Si  Si13  1  0.724  0.552  0.098  1.0
  Si  Si14  1  0.648  0.884  0.165  1.0
  Si  Si15  1  0.412  0.127  0.171  1.0
  Bi  Bi16  1  0.643  0.183  0.584  1.0
  Bi  Bi17  1  0.807  0.211  0.934  1.0
  Bi  Bi18  1  0.183  0.643  0.084  1.0
  Bi  Bi19  1  0.211  0.807  0.434  1.0
  O  O20  1  0.166  0.922  0.870  1.0
  O  O21  1  0.422  0.650  0.914  1.0
  O  O22  1  0.569  0.884  0.672  1.0
  O  O23  1  0.424  0.166  0.709  1.0
  O  O24  1  0.527  0.052  0.890  1.0
  O  O25  1  0.362  0.288  0.891  1.0
  O  O26  1  0.842  0.977  0.872  1.0
  O  O27  1  0.650  0.422  0.414  1.0
  O  O28  1  0.922  0.166  0.370  1.0
  O  O29  1  0.166  0.424  0.209  1.0
  O  O30  1  0.884  0.569  0.172  1.0
  O  O31  1  0.067  0.212  0.637  1.0
  O  O32  1  0.671  0.595  0.633  1.0
  O  O33  1  0.052  0.527  0.390  1.0
  O  O34  1  0.651  0.851  0.480  1.0
  O  O35  1  0.389  0.102  0.500  1.0
  O  O36  1  0.928  0.456  0.668  1.0
  O  O37  1  0.977  0.842  0.372  1.0
  O  O38  1  0.288  0.362  0.391  1.0
  O  O39  1  0.879  0.706  0.780  1.0
  O  O40  1  0.157  0.433  0.795  1.0
  O  O41  1  0.325  0.587  0.597  1.0
  O  O42  1  0.056  0.814  0.583  1.0
  O  O43  1  0.212  0.067  0.137  1.0
  O  O44  1  0.595  0.671  0.133  1.0
  O  O45  1  0.102  0.389  1.000  1.0
  O  O46  1  0.851  0.651  0.980  1.0
  O  O47  1  0.456  0.928  0.168  1.0
  O  O48  1  0.433  0.157  0.295  1.0
  O  O49  1  0.706  0.879  0.280  1.0
  O  O50  1  0.814  0.056  0.083  1.0
  O  O51  1  0.587  0.325  0.097  1.0
[/CIF]
.