The compound described by Li3BSiBiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with two equivalent O(3)Li3BiB trigonal bipyramids,  an edgeedge with one O(5)Li2SiBi tetrahedra, and  an edgeedge with one O(3)Li3BiB trigonal bipyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one B(1), and one Bi(1) atom to form distorted OLi3BiB trigonal bipyramids that share corners with two equivalent O(1)Li3B tetrahedra, corners with three equivalent O(5)Li2SiBi tetrahedra, and  an edgeedge with one O(1)Li3B tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Bi(1) atom to form distorted OLi2SiBi tetrahedra that share corners with three equivalent O(3)Li3BiB trigonal bipyramids and  an edgeedge with one O(1)Li3B tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li3SiBiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   5.136
_cell_length_c   8.862
_cell_angle_alpha   85.771
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.417
_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  0.750  0.256  0.940  1.0
  Li  Li1  1  0.952  0.752  0.752  1.0
  Li  Li2  1  0.548  0.752  0.752  1.0
  Li  Li3  1  0.452  0.248  0.248  1.0
  Li  Li4  1  0.048  0.248  0.248  1.0
  Li  Li5  1  0.250  0.744  0.060  1.0
  Si  Si6  1  0.750  0.268  0.594  1.0
  Si  Si7  1  0.250  0.732  0.406  1.0
  Bi  Bi8  1  0.250  0.215  0.665  1.0
  Bi  Bi9  1  0.750  0.785  0.335  1.0
  B  B10  1  0.250  0.295  0.962  1.0
  B  B11  1  0.750  0.705  0.038  1.0
  O  O12  1  0.750  0.638  0.892  1.0
  O  O13  1  0.250  0.044  0.915  1.0
  O  O14  1  0.250  0.501  0.847  1.0
  O  O15  1  0.931  0.145  0.698  1.0
  O  O16  1  0.569  0.145  0.698  1.0
  O  O17  1  0.750  0.591  0.584  1.0
  O  O18  1  0.250  0.812  0.582  1.0
  O  O19  1  0.750  0.188  0.418  1.0
  O  O20  1  0.250  0.409  0.416  1.0
  O  O21  1  0.431  0.855  0.302  1.0
  O  O22  1  0.069  0.855  0.302  1.0
  O  O23  1  0.750  0.499  0.153  1.0
  O  O24  1  0.750  0.956  0.085  1.0
  O  O25  1  0.250  0.362  0.108  1.0
[/CIF]
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The compound described by Li3BSiBiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with two equivalent O(3)Li3BiB trigonal bipyramids,  an edgeedge with one O(5)Li2SiBi tetrahedra, and  an edgeedge with one O(3)Li3BiB trigonal bipyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one B(1), and one Bi(1) atom to form distorted OLi3BiB trigonal bipyramids that share corners with two equivalent O(1)Li3B tetrahedra, corners with three equivalent O(5)Li2SiBi tetrahedra, and  an edgeedge with one O(1)Li3B tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Bi(1) atom to form distorted OLi2SiBi tetrahedra that share corners with three equivalent O(3)Li3BiB trigonal bipyramids and  an edgeedge with one O(1)Li3B tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li3SiBiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   5.136
_cell_length_c   8.862
_cell_angle_alpha   85.771
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.417
_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  0.750  0.256  0.940  1.0
  Li  Li1  1  0.952  0.752  0.752  1.0
  Li  Li2  1  0.548  0.752  0.752  1.0
  Li  Li3  1  0.452  0.248  0.248  1.0
  Li  Li4  1  0.048  0.248  0.248  1.0
  Li  Li5  1  0.250  0.744  0.060  1.0
  Si  Si6  1  0.750  0.268  0.594  1.0
  Si  Si7  1  0.250  0.732  0.406  1.0
  Bi  Bi8  1  0.250  0.215  0.665  1.0
  Bi  Bi9  1  0.750  0.785  0.335  1.0
  B  B10  1  0.250  0.295  0.962  1.0
  B  B11  1  0.750  0.705  0.038  1.0
  O  O12  1  0.750  0.638  0.892  1.0
  O  O13  1  0.250  0.044  0.915  1.0
  O  O14  1  0.250  0.501  0.847  1.0
  O  O15  1  0.931  0.145  0.698  1.0
  O  O16  1  0.569  0.145  0.698  1.0
  O  O17  1  0.750  0.591  0.584  1.0
  O  O18  1  0.250  0.812  0.582  1.0
  O  O19  1  0.750  0.188  0.418  1.0
  O  O20  1  0.250  0.409  0.416  1.0
  O  O21  1  0.431  0.855  0.302  1.0
  O  O22  1  0.069  0.855  0.302  1.0
  O  O23  1  0.750  0.499  0.153  1.0
  O  O24  1  0.750  0.956  0.085  1.0
  O  O25  1  0.250  0.362  0.108  1.0
[/CIF]
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