The crystal structure described by Nd(O6Br)3 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Nd(O6Br)3 clusters. Nd(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are eleven inequivalent O sites. In the first O site, O(7) is bonded in a water-like geometry to one Nd(1) and one Br(2) atom. In the second O site, O(8) is bonded in a water-like geometry to one Nd(1) and one Br(1) atom. In the third O site, O(9) is bonded in a distorted water-like geometry to one Nd(1) and one Br(2) atom. In the fourth O site, O(10) is bonded in a single-bond geometry to one Br(1) atom. In the fifth O site, O(11) is bonded in a single-bond geometry to one Br(2) atom. In the sixth O site, O(1) is bonded in a water-like geometry to two equivalent O(6) atoms. In the seventh O site, O(2) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the eighth O site, O(3) is bonded in a single-bond geometry to one Nd(1) atom. In the ninth O site, O(4) is bonded in a single-bond geometry to one Nd(1) atom. In the tenth O site, O(5) is bonded in a distorted water-like geometry to one Nd(1) and two equivalent O(2) atoms. In the eleventh O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one O(1), and one O(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal non-coplanar geometry to one O(10) and two equivalent O(8) atoms. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one O(11), one O(7), and one O(9) atom. is represented by the CIF file [CIF]
data_Nd(BrO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.745
_cell_length_b   10.745
_cell_length_c   7.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.078
_symmetry_Int_Tables_number   1
_cell_volume   765.704
_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
  Nd  Nd0  1  0.332  0.668  0.280  1.0
  Nd  Nd1  1  0.668  0.332  0.780  1.0
  Br  Br2  1  0.148  0.852  0.281  1.0
  Br  Br3  1  0.150  0.298  0.299  1.0
  Br  Br4  1  0.702  0.850  0.299  1.0
  Br  Br5  1  0.852  0.148  0.781  1.0
  Br  Br6  1  0.850  0.702  0.799  1.0
  Br  Br7  1  0.298  0.150  0.799  1.0
  O  O8  1  0.408  0.592  0.858  1.0
  O  O9  1  0.409  0.806  0.836  1.0
  O  O10  1  0.194  0.591  0.836  1.0
  O  O11  1  0.592  0.408  0.358  1.0
  O  O12  1  0.591  0.194  0.336  1.0
  O  O13  1  0.806  0.409  0.336  1.0
  O  O14  1  0.421  0.579  0.503  1.0
  O  O15  1  0.413  0.846  0.504  1.0
  O  O16  1  0.154  0.587  0.504  1.0
  O  O17  1  0.579  0.421  0.003  1.0
  O  O18  1  0.587  0.154  0.004  1.0
  O  O19  1  0.846  0.413  0.004  1.0
  O  O20  1  0.264  0.736  0.907  1.0
  O  O21  1  0.263  0.524  0.929  1.0
  O  O22  1  0.476  0.737  0.929  1.0
  O  O23  1  0.736  0.264  0.407  1.0
  O  O24  1  0.737  0.476  0.429  1.0
  O  O25  1  0.524  0.263  0.429  1.0
  O  O26  1  0.582  0.911  0.285  1.0
  O  O27  1  0.087  0.671  0.269  1.0
  O  O28  1  0.331  0.418  0.278  1.0
  O  O29  1  0.582  0.669  0.278  1.0
  O  O30  1  0.089  0.418  0.285  1.0
  O  O31  1  0.329  0.913  0.269  1.0
  O  O32  1  0.418  0.089  0.785  1.0
  O  O33  1  0.913  0.329  0.769  1.0
  O  O34  1  0.669  0.582  0.778  1.0
  O  O35  1  0.418  0.331  0.778  1.0
  O  O36  1  0.911  0.582  0.785  1.0
  O  O37  1  0.671  0.087  0.769  1.0
  O  O38  1  0.110  0.890  0.476  1.0
  O  O39  1  0.118  0.229  0.498  1.0
  O  O40  1  0.771  0.882  0.498  1.0
  O  O41  1  0.890  0.110  0.976  1.0
  O  O42  1  0.882  0.771  0.998  1.0
  O  O43  1  0.229  0.118  0.998  1.0
[/CIF]
.
The crystal structure described by Nd(O6Br)3 is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Nd(O6Br)3 clusters. Nd(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are eleven inequivalent O sites. In the first O site, O(7) is bonded in a water-like geometry to one Nd(1) and one Br(2) atom. In the second O site, O(8) is bonded in a water-like geometry to one Nd(1) and one Br(1) atom. In the third O site, O(9) is bonded in a distorted water-like geometry to one Nd(1) and one Br(2) atom. In the fourth O site, O(10) is bonded in a single-bond geometry to one Br(1) atom. In the fifth O site, O(11) is bonded in a single-bond geometry to one Br(2) atom. In the sixth O site, O(1) is bonded in a water-like geometry to two equivalent O(6) atoms. In the seventh O site, O(2) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the eighth O site, O(3) is bonded in a single-bond geometry to one Nd(1) atom. In the ninth O site, O(4) is bonded in a single-bond geometry to one Nd(1) atom. In the tenth O site, O(5) is bonded in a distorted water-like geometry to one Nd(1) and two equivalent O(2) atoms. In the eleventh O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one O(1), and one O(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal non-coplanar geometry to one O(10) and two equivalent O(8) atoms. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one O(11), one O(7), and one O(9) atom. is represented by the CIF file [CIF]
data_Nd(BrO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.745
_cell_length_b   10.745
_cell_length_c   7.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.078
_symmetry_Int_Tables_number   1
_cell_volume   765.704
_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
  Nd  Nd0  1  0.332  0.668  0.280  1.0
  Nd  Nd1  1  0.668  0.332  0.780  1.0
  Br  Br2  1  0.148  0.852  0.281  1.0
  Br  Br3  1  0.150  0.298  0.299  1.0
  Br  Br4  1  0.702  0.850  0.299  1.0
  Br  Br5  1  0.852  0.148  0.781  1.0
  Br  Br6  1  0.850  0.702  0.799  1.0
  Br  Br7  1  0.298  0.150  0.799  1.0
  O  O8  1  0.408  0.592  0.858  1.0
  O  O9  1  0.409  0.806  0.836  1.0
  O  O10  1  0.194  0.591  0.836  1.0
  O  O11  1  0.592  0.408  0.358  1.0
  O  O12  1  0.591  0.194  0.336  1.0
  O  O13  1  0.806  0.409  0.336  1.0
  O  O14  1  0.421  0.579  0.503  1.0
  O  O15  1  0.413  0.846  0.504  1.0
  O  O16  1  0.154  0.587  0.504  1.0
  O  O17  1  0.579  0.421  0.003  1.0
  O  O18  1  0.587  0.154  0.004  1.0
  O  O19  1  0.846  0.413  0.004  1.0
  O  O20  1  0.264  0.736  0.907  1.0
  O  O21  1  0.263  0.524  0.929  1.0
  O  O22  1  0.476  0.737  0.929  1.0
  O  O23  1  0.736  0.264  0.407  1.0
  O  O24  1  0.737  0.476  0.429  1.0
  O  O25  1  0.524  0.263  0.429  1.0
  O  O26  1  0.582  0.911  0.285  1.0
  O  O27  1  0.087  0.671  0.269  1.0
  O  O28  1  0.331  0.418  0.278  1.0
  O  O29  1  0.582  0.669  0.278  1.0
  O  O30  1  0.089  0.418  0.285  1.0
  O  O31  1  0.329  0.913  0.269  1.0
  O  O32  1  0.418  0.089  0.785  1.0
  O  O33  1  0.913  0.329  0.769  1.0
  O  O34  1  0.669  0.582  0.778  1.0
  O  O35  1  0.418  0.331  0.778  1.0
  O  O36  1  0.911  0.582  0.785  1.0
  O  O37  1  0.671  0.087  0.769  1.0
  O  O38  1  0.110  0.890  0.476  1.0
  O  O39  1  0.118  0.229  0.498  1.0
  O  O40  1  0.771  0.882  0.498  1.0
  O  O41  1  0.890  0.110  0.976  1.0
  O  O42  1  0.882  0.771  0.998  1.0
  O  O43  1  0.229  0.118  0.998  1.0
[/CIF]
.