The material structure described by ScH11O6(Br)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and one ScH11O6 cluster. In the ScH11O6 cluster, Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted edge-sharing ScO7 pentagonal bipyramids. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Sc(1), one H(4), and one H(5) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Sc(1), one H(6), and one H(7) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Sc(1), one H(8), and one H(9) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one Sc(1), one H(10), and one H(11) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sc(1) and one H(1) atom. In the sixth O site, O(2) is bonded in a distorted water-like geometry to one Sc(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScH11(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   8.499
_cell_length_c   8.785
_cell_angle_alpha   96.330
_cell_angle_beta   114.975
_cell_angle_gamma   101.307
_symmetry_Int_Tables_number   1
_cell_volume   492.760
_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
  Sc  Sc0  1  0.121  0.159  0.673  1.0
  Sc  Sc1  1  0.879  0.841  0.327  1.0
  H  H2  1  0.941  0.173  0.330  1.0
  H  H3  1  0.059  0.827  0.670  1.0
  H  H4  1  0.918  0.154  0.885  1.0
  H  H5  1  0.082  0.846  0.115  1.0
  H  H6  1  0.855  0.970  0.781  1.0
  H  H7  1  0.145  0.030  0.219  1.0
  H  H8  1  0.533  0.163  0.893  1.0
  H  H9  1  0.467  0.837  0.107  1.0
  H  H10  1  0.414  0.981  0.780  1.0
  H  H11  1  0.586  0.019  0.220  1.0
  H  H12  1  0.396  0.452  0.666  1.0
  H  H13  1  0.604  0.548  0.334  1.0
  H  H14  1  0.360  0.309  0.516  1.0
  H  H15  1  0.640  0.691  0.484  1.0
  H  H16  1  0.803  0.318  0.527  1.0
  H  H17  1  0.197  0.682  0.473  1.0
  H  H18  1  0.966  0.441  0.706  1.0
  H  H19  1  0.034  0.559  0.294  1.0
  H  H20  1  0.337  0.316  0.030  1.0
  H  H21  1  0.663  0.684  0.970  1.0
  H  H22  1  0.258  0.457  0.937  1.0
  H  H23  1  0.742  0.543  0.063  1.0
  Br  Br24  1  0.144  0.689  0.919  1.0
  Br  Br25  1  0.856  0.311  0.081  1.0
  Br  Br26  1  0.534  0.747  0.694  1.0
  Br  Br27  1  0.466  0.253  0.306  1.0
  O  O28  1  0.965  0.097  0.409  1.0
  O  O29  1  0.035  0.903  0.591  1.0
  O  O30  1  0.949  0.079  0.812  1.0
  O  O31  1  0.051  0.921  0.188  1.0
  O  O32  1  0.397  0.088  0.817  1.0
  O  O33  1  0.603  0.912  0.183  1.0
  O  O34  1  0.329  0.335  0.612  1.0
  O  O35  1  0.671  0.665  0.388  1.0
  O  O36  1  0.938  0.339  0.625  1.0
  O  O37  1  0.062  0.661  0.375  1.0
  O  O38  1  0.287  0.350  0.918  1.0
  O  O39  1  0.713  0.650  0.082  1.0
[/CIF]
.
The material structure described by ScH11O6(Br)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and one ScH11O6 cluster. In the ScH11O6 cluster, Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted edge-sharing ScO7 pentagonal bipyramids. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Sc(1), one H(4), and one H(5) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Sc(1), one H(6), and one H(7) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Sc(1), one H(8), and one H(9) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one Sc(1), one H(10), and one H(11) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sc(1) and one H(1) atom. In the sixth O site, O(2) is bonded in a distorted water-like geometry to one Sc(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScH11(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   8.499
_cell_length_c   8.785
_cell_angle_alpha   96.330
_cell_angle_beta   114.975
_cell_angle_gamma   101.307
_symmetry_Int_Tables_number   1
_cell_volume   492.760
_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
  Sc  Sc0  1  0.121  0.159  0.673  1.0
  Sc  Sc1  1  0.879  0.841  0.327  1.0
  H  H2  1  0.941  0.173  0.330  1.0
  H  H3  1  0.059  0.827  0.670  1.0
  H  H4  1  0.918  0.154  0.885  1.0
  H  H5  1  0.082  0.846  0.115  1.0
  H  H6  1  0.855  0.970  0.781  1.0
  H  H7  1  0.145  0.030  0.219  1.0
  H  H8  1  0.533  0.163  0.893  1.0
  H  H9  1  0.467  0.837  0.107  1.0
  H  H10  1  0.414  0.981  0.780  1.0
  H  H11  1  0.586  0.019  0.220  1.0
  H  H12  1  0.396  0.452  0.666  1.0
  H  H13  1  0.604  0.548  0.334  1.0
  H  H14  1  0.360  0.309  0.516  1.0
  H  H15  1  0.640  0.691  0.484  1.0
  H  H16  1  0.803  0.318  0.527  1.0
  H  H17  1  0.197  0.682  0.473  1.0
  H  H18  1  0.966  0.441  0.706  1.0
  H  H19  1  0.034  0.559  0.294  1.0
  H  H20  1  0.337  0.316  0.030  1.0
  H  H21  1  0.663  0.684  0.970  1.0
  H  H22  1  0.258  0.457  0.937  1.0
  H  H23  1  0.742  0.543  0.063  1.0
  Br  Br24  1  0.144  0.689  0.919  1.0
  Br  Br25  1  0.856  0.311  0.081  1.0
  Br  Br26  1  0.534  0.747  0.694  1.0
  Br  Br27  1  0.466  0.253  0.306  1.0
  O  O28  1  0.965  0.097  0.409  1.0
  O  O29  1  0.035  0.903  0.591  1.0
  O  O30  1  0.949  0.079  0.812  1.0
  O  O31  1  0.051  0.921  0.188  1.0
  O  O32  1  0.397  0.088  0.817  1.0
  O  O33  1  0.603  0.912  0.183  1.0
  O  O34  1  0.329  0.335  0.612  1.0
  O  O35  1  0.671  0.665  0.388  1.0
  O  O36  1  0.938  0.339  0.625  1.0
  O  O37  1  0.062  0.661  0.375  1.0
  O  O38  1  0.287  0.350  0.918  1.0
  O  O39  1  0.713  0.650  0.082  1.0
[/CIF]
.