The material described by Th(BO2)4 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), and six equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Th(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Th(1), one B(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Th(1), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Th(BO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   7.312
_cell_angle_alpha   66.217
_cell_angle_beta   66.217
_cell_angle_gamma   29.211
_symmetry_Int_Tables_number   1
_cell_volume   225.245
_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
  Th  Th0  1  0.191  0.809  0.750  1.0
  Th  Th1  1  0.809  0.191  0.250  1.0
  B  B2  1  0.999  0.392  0.796  1.0
  B  B3  1  0.608  0.001  0.704  1.0
  B  B4  1  0.001  0.608  0.204  1.0
  B  B5  1  0.392  0.999  0.296  1.0
  B  B6  1  0.830  0.452  0.508  1.0
  B  B7  1  0.548  0.170  0.992  1.0
  B  B8  1  0.170  0.548  0.492  1.0
  B  B9  1  0.452  0.830  0.008  1.0
  O  O10  1  0.929  0.639  0.667  1.0
  O  O11  1  0.361  0.071  0.833  1.0
  O  O12  1  0.071  0.361  0.333  1.0
  O  O13  1  0.639  0.929  0.167  1.0
  O  O14  1  0.808  0.507  0.990  1.0
  O  O15  1  0.493  0.192  0.510  1.0
  O  O16  1  0.192  0.493  0.010  1.0
  O  O17  1  0.507  0.808  0.490  1.0
  O  O18  1  0.936  0.330  0.703  1.0
  O  O19  1  0.670  0.064  0.797  1.0
  O  O20  1  0.064  0.670  0.297  1.0
  O  O21  1  0.330  0.936  0.203  1.0
  O  O22  1  0.814  0.290  0.513  1.0
  O  O23  1  0.710  0.186  0.987  1.0
  O  O24  1  0.186  0.710  0.487  1.0
  O  O25  1  0.290  0.814  0.013  1.0
[/CIF]
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The material described by Th(BO2)4 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), and six equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Th(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Th(1), one B(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Th(1), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Th(BO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   7.312
_cell_angle_alpha   66.217
_cell_angle_beta   66.217
_cell_angle_gamma   29.211
_symmetry_Int_Tables_number   1
_cell_volume   225.245
_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
  Th  Th0  1  0.191  0.809  0.750  1.0
  Th  Th1  1  0.809  0.191  0.250  1.0
  B  B2  1  0.999  0.392  0.796  1.0
  B  B3  1  0.608  0.001  0.704  1.0
  B  B4  1  0.001  0.608  0.204  1.0
  B  B5  1  0.392  0.999  0.296  1.0
  B  B6  1  0.830  0.452  0.508  1.0
  B  B7  1  0.548  0.170  0.992  1.0
  B  B8  1  0.170  0.548  0.492  1.0
  B  B9  1  0.452  0.830  0.008  1.0
  O  O10  1  0.929  0.639  0.667  1.0
  O  O11  1  0.361  0.071  0.833  1.0
  O  O12  1  0.071  0.361  0.333  1.0
  O  O13  1  0.639  0.929  0.167  1.0
  O  O14  1  0.808  0.507  0.990  1.0
  O  O15  1  0.493  0.192  0.510  1.0
  O  O16  1  0.192  0.493  0.010  1.0
  O  O17  1  0.507  0.808  0.490  1.0
  O  O18  1  0.936  0.330  0.703  1.0
  O  O19  1  0.670  0.064  0.797  1.0
  O  O20  1  0.064  0.670  0.297  1.0
  O  O21  1  0.330  0.936  0.203  1.0
  O  O22  1  0.814  0.290  0.513  1.0
  O  O23  1  0.710  0.186  0.987  1.0
  O  O24  1  0.186  0.710  0.487  1.0
  O  O25  1  0.290  0.814  0.013  1.0
[/CIF]
.