The material described by B4Bi(HO3)3 crystallizes in the triclinic P1 space group. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(6), and one O(8) atom. In the fourth B site, B(4) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(2), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(14), and one O(9) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(16) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), 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 6-coordinate geometry to one O(17), one O(18), one O(2), one O(4), and two equivalent O(15) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(18), and two equivalent O(16) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(13) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(2), one B(3), and one Bi(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(4), one B(5), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(8), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one B(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one B(5) and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one B(3) and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(6), and one H(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(7), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(4) and one B(7) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one B(1) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one B(6) and one H(4) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one B(8) and two equivalent Bi(1) atoms. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one B(7) and two equivalent Bi(2) atoms. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one H(5) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one H(6) atom. is represented by the CIF file [CIF]
data_BiB4(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   8.707
_cell_length_c   10.692
_cell_angle_alpha   111.700
_cell_angle_beta   96.813
_cell_angle_gamma   90.366
_symmetry_Int_Tables_number   1
_cell_volume   373.884
_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
  Bi  Bi0  1  0.967  0.518  0.905  1.0
  Bi  Bi1  1  0.223  0.146  0.975  1.0
  B  B2  1  0.961  0.039  0.419  1.0
  B  B3  1  0.088  0.931  0.179  1.0
  B  B4  1  0.832  0.198  0.279  1.0
  B  B5  1  0.101  0.735  0.701  1.0
  B  B6  1  0.378  0.476  0.607  1.0
  B  B7  1  0.215  0.623  0.460  1.0
  B  B8  1  0.637  0.888  0.805  1.0
  B  B9  1  0.554  0.778  0.075  1.0
  H  H10  1  0.651  0.287  0.557  1.0
  H  H11  1  0.571  0.392  0.333  1.0
  H  H12  1  0.006  0.923  0.550  1.0
  H  H13  1  0.134  0.728  0.324  1.0
  H  H14  1  0.903  0.430  0.139  1.0
  H  H15  1  0.252  0.219  0.737  1.0
  O  O16  1  0.991  0.096  0.181  1.0
  O  O17  1  0.207  0.574  0.703  1.0
  O  O18  1  0.079  0.921  0.314  1.0
  O  O19  1  0.876  0.796  0.077  1.0
  O  O20  1  0.399  0.913  0.142  1.0
  O  O21  1  0.837  0.180  0.404  1.0
  O  O22  1  0.543  0.354  0.633  1.0
  O  O23  1  0.675  0.323  0.255  1.0
  O  O24  1  0.093  0.740  0.564  1.0
  O  O25  1  0.372  0.492  0.482  1.0
  O  O26  1  0.314  0.874  0.799  1.0
  O  O27  1  0.793  0.752  0.742  1.0
  O  O28  1  0.951  0.031  0.544  1.0
  O  O29  1  0.195  0.622  0.332  1.0
  O  O30  1  0.437  0.620  0.999  1.0
  O  O31  1  0.756  0.045  0.882  1.0
  O  O32  1  0.957  0.384  0.046  1.0
  O  O33  1  0.235  0.279  0.834  1.0
[/CIF]
.
The material described by B4Bi(HO3)3 crystallizes in the triclinic P1 space group. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(6), and one O(8) atom. In the fourth B site, B(4) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(2), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(14), and one O(9) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(16) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), 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 6-coordinate geometry to one O(17), one O(18), one O(2), one O(4), and two equivalent O(15) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(18), and two equivalent O(16) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(13) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(2), one B(3), and one Bi(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(4), one B(5), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(8), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one B(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one B(5) and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one B(3) and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(6), and one H(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(7), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(4) and one B(7) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one B(1) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one B(6) and one H(4) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one B(8) and two equivalent Bi(1) atoms. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one B(7) and two equivalent Bi(2) atoms. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one H(5) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one H(6) atom. is represented by the CIF file [CIF]
data_BiB4(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   8.707
_cell_length_c   10.692
_cell_angle_alpha   111.700
_cell_angle_beta   96.813
_cell_angle_gamma   90.366
_symmetry_Int_Tables_number   1
_cell_volume   373.884
_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
  Bi  Bi0  1  0.967  0.518  0.905  1.0
  Bi  Bi1  1  0.223  0.146  0.975  1.0
  B  B2  1  0.961  0.039  0.419  1.0
  B  B3  1  0.088  0.931  0.179  1.0
  B  B4  1  0.832  0.198  0.279  1.0
  B  B5  1  0.101  0.735  0.701  1.0
  B  B6  1  0.378  0.476  0.607  1.0
  B  B7  1  0.215  0.623  0.460  1.0
  B  B8  1  0.637  0.888  0.805  1.0
  B  B9  1  0.554  0.778  0.075  1.0
  H  H10  1  0.651  0.287  0.557  1.0
  H  H11  1  0.571  0.392  0.333  1.0
  H  H12  1  0.006  0.923  0.550  1.0
  H  H13  1  0.134  0.728  0.324  1.0
  H  H14  1  0.903  0.430  0.139  1.0
  H  H15  1  0.252  0.219  0.737  1.0
  O  O16  1  0.991  0.096  0.181  1.0
  O  O17  1  0.207  0.574  0.703  1.0
  O  O18  1  0.079  0.921  0.314  1.0
  O  O19  1  0.876  0.796  0.077  1.0
  O  O20  1  0.399  0.913  0.142  1.0
  O  O21  1  0.837  0.180  0.404  1.0
  O  O22  1  0.543  0.354  0.633  1.0
  O  O23  1  0.675  0.323  0.255  1.0
  O  O24  1  0.093  0.740  0.564  1.0
  O  O25  1  0.372  0.492  0.482  1.0
  O  O26  1  0.314  0.874  0.799  1.0
  O  O27  1  0.793  0.752  0.742  1.0
  O  O28  1  0.951  0.031  0.544  1.0
  O  O29  1  0.195  0.622  0.332  1.0
  O  O30  1  0.437  0.620  0.999  1.0
  O  O31  1  0.756  0.045  0.882  1.0
  O  O32  1  0.957  0.384  0.046  1.0
  O  O33  1  0.235  0.279  0.834  1.0
[/CIF]
.