The material structure described by ThB2O5 crystallizes in the monoclinic C2/c space group. Th(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted edge-sharing ThO8 hexagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Th(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one B(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. is represented by the CIF file [CIF]
data_ThB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.755
_cell_length_b   6.755
_cell_length_c   10.319
_cell_angle_alpha   80.029
_cell_angle_beta   80.029
_cell_angle_gamma   61.912
_symmetry_Int_Tables_number   1
_cell_volume   406.837
_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
  Th  Th0  1  0.384  0.979  0.193  1.0
  Th  Th1  1  0.021  0.616  0.307  1.0
  Th  Th2  1  0.616  0.021  0.807  1.0
  Th  Th3  1  0.979  0.384  0.693  1.0
  B  B4  1  0.771  0.281  0.500  1.0
  B  B5  1  0.564  0.167  0.358  1.0
  B  B6  1  0.833  0.436  0.142  1.0
  B  B7  1  0.436  0.833  0.642  1.0
  B  B8  1  0.167  0.564  0.858  1.0
  B  B9  1  0.719  0.229  1.000  1.0
  B  B10  1  0.229  0.719  0.500  1.0
  B  B11  1  0.281  0.771  0.000  1.0
  O  O12  1  0.640  0.287  0.411  1.0
  O  O13  1  0.287  0.640  0.911  1.0
  O  O14  1  0.360  0.713  0.589  1.0
  O  O15  1  0.713  0.360  0.089  1.0
  O  O16  1  0.277  0.356  0.811  1.0
  O  O17  1  0.644  0.723  0.689  1.0
  O  O18  1  0.723  0.644  0.189  1.0
  O  O19  1  0.356  0.277  0.311  1.0
  O  O20  1  0.056  0.316  0.160  1.0
  O  O21  1  0.684  0.944  0.340  1.0
  O  O22  1  0.944  0.684  0.840  1.0
  O  O23  1  0.316  0.056  0.660  1.0
  O  O24  1  0.400  0.892  0.969  1.0
  O  O25  1  0.108  0.600  0.531  1.0
  O  O26  1  0.600  0.108  0.031  1.0
  O  O27  1  0.892  0.400  0.469  1.0
  O  O28  1  0.827  0.220  0.874  1.0
  O  O29  1  0.780  0.173  0.626  1.0
  O  O30  1  0.173  0.780  0.126  1.0
  O  O31  1  0.220  0.827  0.374  1.0
[/CIF]
.
The material structure described by ThB2O5 crystallizes in the monoclinic C2/c space group. Th(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted edge-sharing ThO8 hexagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Th(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one B(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. is represented by the CIF file [CIF]
data_ThB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.755
_cell_length_b   6.755
_cell_length_c   10.319
_cell_angle_alpha   80.029
_cell_angle_beta   80.029
_cell_angle_gamma   61.912
_symmetry_Int_Tables_number   1
_cell_volume   406.837
_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
  Th  Th0  1  0.384  0.979  0.193  1.0
  Th  Th1  1  0.021  0.616  0.307  1.0
  Th  Th2  1  0.616  0.021  0.807  1.0
  Th  Th3  1  0.979  0.384  0.693  1.0
  B  B4  1  0.771  0.281  0.500  1.0
  B  B5  1  0.564  0.167  0.358  1.0
  B  B6  1  0.833  0.436  0.142  1.0
  B  B7  1  0.436  0.833  0.642  1.0
  B  B8  1  0.167  0.564  0.858  1.0
  B  B9  1  0.719  0.229  1.000  1.0
  B  B10  1  0.229  0.719  0.500  1.0
  B  B11  1  0.281  0.771  0.000  1.0
  O  O12  1  0.640  0.287  0.411  1.0
  O  O13  1  0.287  0.640  0.911  1.0
  O  O14  1  0.360  0.713  0.589  1.0
  O  O15  1  0.713  0.360  0.089  1.0
  O  O16  1  0.277  0.356  0.811  1.0
  O  O17  1  0.644  0.723  0.689  1.0
  O  O18  1  0.723  0.644  0.189  1.0
  O  O19  1  0.356  0.277  0.311  1.0
  O  O20  1  0.056  0.316  0.160  1.0
  O  O21  1  0.684  0.944  0.340  1.0
  O  O22  1  0.944  0.684  0.840  1.0
  O  O23  1  0.316  0.056  0.660  1.0
  O  O24  1  0.400  0.892  0.969  1.0
  O  O25  1  0.108  0.600  0.531  1.0
  O  O26  1  0.600  0.108  0.031  1.0
  O  O27  1  0.892  0.400  0.469  1.0
  O  O28  1  0.827  0.220  0.874  1.0
  O  O29  1  0.780  0.173  0.626  1.0
  O  O30  1  0.173  0.780  0.126  1.0
  O  O31  1  0.220  0.827  0.374  1.0
[/CIF]
.