The material described by TmB2HO5 crystallizes in the monoclinic C2/c space group. Tm(1) is bonded in a 8-coordinate geometry to one H(1), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one Tm(1) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Tm(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tm(1) and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tm(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one B(1) atom. is represented by the CIF file [CIF]
data_TmB2HO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   11.192
_cell_angle_alpha   90.404
_cell_angle_beta   90.404
_cell_angle_gamma   110.065
_symmetry_Int_Tables_number   1
_cell_volume   364.705
_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
  Tm  Tm0  1  0.824  0.668  0.448  1.0
  Tm  Tm1  1  0.332  0.176  0.052  1.0
  Tm  Tm2  1  0.176  0.332  0.552  1.0
  Tm  Tm3  1  0.668  0.824  0.948  1.0
  B  B4  1  0.368  0.113  0.774  1.0
  B  B5  1  0.887  0.632  0.726  1.0
  B  B6  1  0.632  0.887  0.226  1.0
  B  B7  1  0.113  0.368  0.274  1.0
  B  B8  1  0.851  0.651  0.129  1.0
  B  B9  1  0.349  0.149  0.371  1.0
  B  B10  1  0.149  0.349  0.871  1.0
  B  B11  1  0.651  0.851  0.629  1.0
  H  H12  1  0.989  0.637  0.909  1.0
  H  H13  1  0.363  0.011  0.591  1.0
  H  H14  1  0.011  0.363  0.091  1.0
  H  H15  1  0.637  0.989  0.409  1.0
  O  O16  1  0.659  0.485  0.072  1.0
  O  O17  1  0.515  0.341  0.428  1.0
  O  O18  1  0.341  0.515  0.928  1.0
  O  O19  1  0.485  0.659  0.572  1.0
  O  O20  1  0.010  0.818  0.055  1.0
  O  O21  1  0.182  0.990  0.445  1.0
  O  O22  1  0.990  0.182  0.945  1.0
  O  O23  1  0.818  0.010  0.555  1.0
  O  O24  1  0.965  0.548  0.830  1.0
  O  O25  1  0.452  0.035  0.670  1.0
  O  O26  1  0.035  0.452  0.170  1.0
  O  O27  1  0.548  0.965  0.330  1.0
  O  O28  1  0.785  0.752  0.243  1.0
  O  O29  1  0.248  0.215  0.257  1.0
  O  O30  1  0.215  0.248  0.757  1.0
  O  O31  1  0.752  0.785  0.743  1.0
  O  O32  1  0.441  0.055  0.880  1.0
  O  O33  1  0.945  0.559  0.620  1.0
  O  O34  1  0.559  0.945  0.120  1.0
  O  O35  1  0.055  0.441  0.380  1.0
[/CIF]
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The material described by TmB2HO5 crystallizes in the monoclinic C2/c space group. Tm(1) is bonded in a 8-coordinate geometry to one H(1), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a single-bond geometry to one Tm(1) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Tm(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tm(1) and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tm(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one B(1) atom. is represented by the CIF file [CIF]
data_TmB2HO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   11.192
_cell_angle_alpha   90.404
_cell_angle_beta   90.404
_cell_angle_gamma   110.065
_symmetry_Int_Tables_number   1
_cell_volume   364.705
_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
  Tm  Tm0  1  0.824  0.668  0.448  1.0
  Tm  Tm1  1  0.332  0.176  0.052  1.0
  Tm  Tm2  1  0.176  0.332  0.552  1.0
  Tm  Tm3  1  0.668  0.824  0.948  1.0
  B  B4  1  0.368  0.113  0.774  1.0
  B  B5  1  0.887  0.632  0.726  1.0
  B  B6  1  0.632  0.887  0.226  1.0
  B  B7  1  0.113  0.368  0.274  1.0
  B  B8  1  0.851  0.651  0.129  1.0
  B  B9  1  0.349  0.149  0.371  1.0
  B  B10  1  0.149  0.349  0.871  1.0
  B  B11  1  0.651  0.851  0.629  1.0
  H  H12  1  0.989  0.637  0.909  1.0
  H  H13  1  0.363  0.011  0.591  1.0
  H  H14  1  0.011  0.363  0.091  1.0
  H  H15  1  0.637  0.989  0.409  1.0
  O  O16  1  0.659  0.485  0.072  1.0
  O  O17  1  0.515  0.341  0.428  1.0
  O  O18  1  0.341  0.515  0.928  1.0
  O  O19  1  0.485  0.659  0.572  1.0
  O  O20  1  0.010  0.818  0.055  1.0
  O  O21  1  0.182  0.990  0.445  1.0
  O  O22  1  0.990  0.182  0.945  1.0
  O  O23  1  0.818  0.010  0.555  1.0
  O  O24  1  0.965  0.548  0.830  1.0
  O  O25  1  0.452  0.035  0.670  1.0
  O  O26  1  0.035  0.452  0.170  1.0
  O  O27  1  0.548  0.965  0.330  1.0
  O  O28  1  0.785  0.752  0.243  1.0
  O  O29  1  0.248  0.215  0.257  1.0
  O  O30  1  0.215  0.248  0.757  1.0
  O  O31  1  0.752  0.785  0.743  1.0
  O  O32  1  0.441  0.055  0.880  1.0
  O  O33  1  0.945  0.559  0.620  1.0
  O  O34  1  0.559  0.945  0.120  1.0
  O  O35  1  0.055  0.441  0.380  1.0
[/CIF]
.