The crystal structure described by MgTh4(B2O5)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(5) atoms to form distorted edge-sharing ThO8 hexagonal bipyramids. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(8), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), 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(2), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Th(2) and one B(3) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one B(4) atom. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one B(1) atom. In the sixth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent Th(2) and one B(1) atom. In the seventh O site, O(10) is bonded in a 1-coordinate geometry to two equivalent Th(1) and one B(4) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the ninth O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one B(3), and one B(4) atom. In the tenth O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Th(2), and one B(3) atom. is represented by the CIF file [CIF]
data_Th4Mg(B2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.820
_cell_length_b   6.820
_cell_length_c   10.268
_cell_angle_alpha   79.812
_cell_angle_beta   79.812
_cell_angle_gamma   63.677
_symmetry_Int_Tables_number   1
_cell_volume   418.681
_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
  Th  Th0  1  0.976  0.396  0.190  1.0
  Th  Th1  1  0.604  0.024  0.310  1.0
  Th  Th2  1  0.025  0.631  0.802  1.0
  Th  Th3  1  0.369  0.975  0.698  1.0
  Mg  Mg4  1  0.535  0.465  0.750  1.0
  B  B5  1  0.240  0.799  0.503  1.0
  B  B6  1  0.156  0.571  0.359  1.0
  B  B7  1  0.429  0.844  0.141  1.0
  B  B8  1  0.884  0.431  0.623  1.0
  B  B9  1  0.569  0.116  0.877  1.0
  B  B10  1  0.201  0.760  0.997  1.0
  B  B11  1  0.746  0.206  0.501  1.0
  B  B12  1  0.794  0.254  0.999  1.0
  O  O13  1  0.263  0.651  0.420  1.0
  O  O14  1  0.679  0.235  0.905  1.0
  O  O15  1  0.765  0.321  0.595  1.0
  O  O16  1  0.349  0.737  0.080  1.0
  O  O17  1  0.373  0.251  0.825  1.0
  O  O18  1  0.749  0.627  0.675  1.0
  O  O19  1  0.634  0.731  0.188  1.0
  O  O20  1  0.269  0.366  0.312  1.0
  O  O21  1  0.316  0.062  0.166  1.0
  O  O22  1  0.938  0.684  0.334  1.0
  O  O23  1  0.663  0.899  0.863  1.0
  O  O24  1  0.101  0.337  0.637  1.0
  O  O25  1  0.899  0.390  0.964  1.0
  O  O26  1  0.610  0.101  0.536  1.0
  O  O27  1  0.108  0.610  0.024  1.0
  O  O28  1  0.390  0.892  0.476  1.0
  O  O29  1  0.138  0.915  0.888  1.0
  O  O30  1  0.085  0.862  0.612  1.0
  O  O31  1  0.782  0.167  0.129  1.0
  O  O32  1  0.833  0.218  0.371  1.0
[/CIF]
.
The crystal structure described by MgTh4(B2O5)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(5) atoms to form distorted edge-sharing ThO8 hexagonal bipyramids. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(8), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), 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(2), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one B(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Th(2) and one B(3) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one B(4) atom. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one B(1) atom. In the sixth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent Th(2) and one B(1) atom. In the seventh O site, O(10) is bonded in a 1-coordinate geometry to two equivalent Th(1) and one B(4) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the ninth O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one B(3), and one B(4) atom. In the tenth O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Th(2), and one B(3) atom. is represented by the CIF file [CIF]
data_Th4Mg(B2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.820
_cell_length_b   6.820
_cell_length_c   10.268
_cell_angle_alpha   79.812
_cell_angle_beta   79.812
_cell_angle_gamma   63.677
_symmetry_Int_Tables_number   1
_cell_volume   418.681
_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
  Th  Th0  1  0.976  0.396  0.190  1.0
  Th  Th1  1  0.604  0.024  0.310  1.0
  Th  Th2  1  0.025  0.631  0.802  1.0
  Th  Th3  1  0.369  0.975  0.698  1.0
  Mg  Mg4  1  0.535  0.465  0.750  1.0
  B  B5  1  0.240  0.799  0.503  1.0
  B  B6  1  0.156  0.571  0.359  1.0
  B  B7  1  0.429  0.844  0.141  1.0
  B  B8  1  0.884  0.431  0.623  1.0
  B  B9  1  0.569  0.116  0.877  1.0
  B  B10  1  0.201  0.760  0.997  1.0
  B  B11  1  0.746  0.206  0.501  1.0
  B  B12  1  0.794  0.254  0.999  1.0
  O  O13  1  0.263  0.651  0.420  1.0
  O  O14  1  0.679  0.235  0.905  1.0
  O  O15  1  0.765  0.321  0.595  1.0
  O  O16  1  0.349  0.737  0.080  1.0
  O  O17  1  0.373  0.251  0.825  1.0
  O  O18  1  0.749  0.627  0.675  1.0
  O  O19  1  0.634  0.731  0.188  1.0
  O  O20  1  0.269  0.366  0.312  1.0
  O  O21  1  0.316  0.062  0.166  1.0
  O  O22  1  0.938  0.684  0.334  1.0
  O  O23  1  0.663  0.899  0.863  1.0
  O  O24  1  0.101  0.337  0.637  1.0
  O  O25  1  0.899  0.390  0.964  1.0
  O  O26  1  0.610  0.101  0.536  1.0
  O  O27  1  0.108  0.610  0.024  1.0
  O  O28  1  0.390  0.892  0.476  1.0
  O  O29  1  0.138  0.915  0.888  1.0
  O  O30  1  0.085  0.862  0.612  1.0
  O  O31  1  0.782  0.167  0.129  1.0
  O  O32  1  0.833  0.218  0.371  1.0
[/CIF]
.