The compound described by LiY4(BiO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form distorted corner-sharing YO4 trigonal pyramids. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing YO7 pentagonal bipyramids. In the third Y site, Y(3) is bonded to one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form YO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid and corners with three equivalent Y(1)O4 trigonal pyramids. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Bi(1), and one Bi(2) atom to form corner-sharing OY2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(3), and one Bi(1) atom. In the third O site, O(3) is bonded to one Y(2), one Y(4), one Bi(3), and one Bi(4) atom to form corner-sharing OY2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Y(3), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded to one Y(2), one Y(3), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Y(4), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(4), one Bi(3), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(4), one Bi(3), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Y(2), one Y(4), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Y(1), one Y(3), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Y(2), one Y(4), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Y(1), one Y(3), and one Bi(4) atom. is represented by the CIF file [CIF]
data_LiY4(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.073
_cell_length_c   9.441
_cell_angle_alpha   92.392
_cell_angle_beta   88.648
_cell_angle_gamma   94.051
_symmetry_Int_Tables_number   1
_cell_volume   340.850
_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  0.342  0.357  0.039  1.0
  Y  Y1  1  0.963  0.046  0.771  1.0
  Y  Y2  1  0.566  0.560  0.289  1.0
  Y  Y3  1  0.517  0.489  0.717  1.0
  Y  Y4  1  0.974  0.063  0.224  1.0
  Bi  Bi5  1  0.064  0.500  0.492  1.0
  Bi  Bi6  1  0.525  0.032  0.477  1.0
  Bi  Bi7  1  0.455  0.918  0.016  1.0
  Bi  Bi8  1  0.908  0.500  0.977  1.0
  O  O9  1  0.765  0.304  0.388  1.0
  O  O10  1  0.190  0.259  0.637  1.0
  O  O11  1  0.745  0.774  0.109  1.0
  O  O12  1  0.347  0.591  0.912  1.0
  O  O13  1  0.427  0.657  0.526  1.0
  O  O14  1  0.806  0.846  0.394  1.0
  O  O15  1  0.101  0.127  0.989  1.0
  O  O16  1  0.643  0.298  0.108  1.0
  O  O17  1  0.227  0.352  0.305  1.0
  O  O18  1  0.658  0.158  0.686  1.0
  O  O19  1  0.299  0.854  0.218  1.0
  O  O20  1  0.834  0.701  0.768  1.0
[/CIF]
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The compound described by LiY4(BiO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form distorted corner-sharing YO4 trigonal pyramids. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing YO7 pentagonal bipyramids. In the third Y site, Y(3) is bonded to one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form YO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid and corners with three equivalent Y(1)O4 trigonal pyramids. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Bi(1), and one Bi(2) atom to form corner-sharing OY2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(3), and one Bi(1) atom. In the third O site, O(3) is bonded to one Y(2), one Y(4), one Bi(3), and one Bi(4) atom to form corner-sharing OY2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Y(3), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded to one Y(2), one Y(3), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OY2Bi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Y(4), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(4), one Bi(3), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(4), one Bi(3), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Y(2), one Y(4), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Y(1), one Y(3), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Y(2), one Y(4), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Y(1), one Y(3), and one Bi(4) atom. is represented by the CIF file [CIF]
data_LiY4(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.073
_cell_length_c   9.441
_cell_angle_alpha   92.392
_cell_angle_beta   88.648
_cell_angle_gamma   94.051
_symmetry_Int_Tables_number   1
_cell_volume   340.850
_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  0.342  0.357  0.039  1.0
  Y  Y1  1  0.963  0.046  0.771  1.0
  Y  Y2  1  0.566  0.560  0.289  1.0
  Y  Y3  1  0.517  0.489  0.717  1.0
  Y  Y4  1  0.974  0.063  0.224  1.0
  Bi  Bi5  1  0.064  0.500  0.492  1.0
  Bi  Bi6  1  0.525  0.032  0.477  1.0
  Bi  Bi7  1  0.455  0.918  0.016  1.0
  Bi  Bi8  1  0.908  0.500  0.977  1.0
  O  O9  1  0.765  0.304  0.388  1.0
  O  O10  1  0.190  0.259  0.637  1.0
  O  O11  1  0.745  0.774  0.109  1.0
  O  O12  1  0.347  0.591  0.912  1.0
  O  O13  1  0.427  0.657  0.526  1.0
  O  O14  1  0.806  0.846  0.394  1.0
  O  O15  1  0.101  0.127  0.989  1.0
  O  O16  1  0.643  0.298  0.108  1.0
  O  O17  1  0.227  0.352  0.305  1.0
  O  O18  1  0.658  0.158  0.686  1.0
  O  O19  1  0.299  0.854  0.218  1.0
  O  O20  1  0.834  0.701  0.768  1.0
[/CIF]
.