The crystal structure described by BaB12H12 is Magnesium structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two BaB12H12 clusters. Ba(1) is bonded in a distorted cuboctahedral geometry to three equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. In the third B site, B(3) is bonded in a single-bond geometry to one H(3) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(4) atom. There are four inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one Ba(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one B(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Ba(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Ba(BH)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.305
_cell_length_c   11.810
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   545.851
_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
  Ba  Ba0  1  0.667  0.333  0.263  1.0
  Ba  Ba1  1  0.333  0.667  0.763  1.0
  B  B2  1  0.915  0.386  0.611  1.0
  B  B3  1  0.471  0.085  0.611  1.0
  B  B4  1  0.614  0.529  0.611  1.0
  B  B5  1  0.529  0.614  0.111  1.0
  B  B6  1  0.386  0.915  0.111  1.0
  B  B7  1  0.085  0.471  0.111  1.0
  B  B8  1  0.512  0.300  0.525  1.0
  B  B9  1  0.788  0.488  0.525  1.0
  B  B10  1  0.700  0.212  0.525  1.0
  B  B11  1  0.212  0.700  0.025  1.0
  B  B12  1  0.300  0.512  0.025  1.0
  B  B13  1  0.488  0.788  0.025  1.0
  B  B14  1  0.820  0.365  0.752  1.0
  B  B15  1  0.545  0.180  0.752  1.0
  B  B16  1  0.635  0.455  0.752  1.0
  B  B17  1  0.455  0.635  0.252  1.0
  B  B18  1  0.365  0.820  0.252  1.0
  B  B19  1  0.180  0.545  0.252  1.0
  B  B20  1  0.417  0.281  0.665  1.0
  B  B21  1  0.863  0.583  0.665  1.0
  B  B22  1  0.719  0.137  0.665  1.0
  B  B23  1  0.137  0.719  0.165  1.0
  B  B24  1  0.281  0.417  0.165  1.0
  B  B25  1  0.583  0.863  0.165  1.0
  H  H26  1  0.089  0.422  0.588  1.0
  H  H27  1  0.332  0.911  0.588  1.0
  H  H28  1  0.578  0.668  0.588  1.0
  H  H29  1  0.668  0.578  0.088  1.0
  H  H30  1  0.422  0.089  0.088  1.0
  H  H31  1  0.911  0.332  0.088  1.0
  H  H32  1  0.400  0.276  0.445  1.0
  H  H33  1  0.876  0.600  0.445  1.0
  H  H34  1  0.724  0.124  0.445  1.0
  H  H35  1  0.124  0.724  0.945  1.0
  H  H36  1  0.276  0.400  0.945  1.0
  H  H37  1  0.600  0.876  0.945  1.0
  H  H38  1  0.925  0.384  0.833  1.0
  H  H39  1  0.459  0.075  0.833  1.0
  H  H40  1  0.616  0.541  0.833  1.0
  H  H41  1  0.541  0.616  0.333  1.0
  H  H42  1  0.384  0.925  0.333  1.0
  H  H43  1  0.075  0.459  0.333  1.0
  H  H44  1  0.241  0.242  0.685  1.0
  H  H45  1  0.001  0.759  0.685  1.0
  H  H46  1  0.758  0.999  0.685  1.0
  H  H47  1  0.999  0.758  0.185  1.0
  H  H48  1  0.242  0.241  0.185  1.0
  H  H49  1  0.759  0.001  0.185  1.0
[/CIF]
.
The crystal structure described by BaB12H12 is Magnesium structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two BaB12H12 clusters. Ba(1) is bonded in a distorted cuboctahedral geometry to three equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. In the third B site, B(3) is bonded in a single-bond geometry to one H(3) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(4) atom. There are four inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one Ba(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one B(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Ba(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Ba(BH)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.305
_cell_length_c   11.810
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   545.851
_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
  Ba  Ba0  1  0.667  0.333  0.263  1.0
  Ba  Ba1  1  0.333  0.667  0.763  1.0
  B  B2  1  0.915  0.386  0.611  1.0
  B  B3  1  0.471  0.085  0.611  1.0
  B  B4  1  0.614  0.529  0.611  1.0
  B  B5  1  0.529  0.614  0.111  1.0
  B  B6  1  0.386  0.915  0.111  1.0
  B  B7  1  0.085  0.471  0.111  1.0
  B  B8  1  0.512  0.300  0.525  1.0
  B  B9  1  0.788  0.488  0.525  1.0
  B  B10  1  0.700  0.212  0.525  1.0
  B  B11  1  0.212  0.700  0.025  1.0
  B  B12  1  0.300  0.512  0.025  1.0
  B  B13  1  0.488  0.788  0.025  1.0
  B  B14  1  0.820  0.365  0.752  1.0
  B  B15  1  0.545  0.180  0.752  1.0
  B  B16  1  0.635  0.455  0.752  1.0
  B  B17  1  0.455  0.635  0.252  1.0
  B  B18  1  0.365  0.820  0.252  1.0
  B  B19  1  0.180  0.545  0.252  1.0
  B  B20  1  0.417  0.281  0.665  1.0
  B  B21  1  0.863  0.583  0.665  1.0
  B  B22  1  0.719  0.137  0.665  1.0
  B  B23  1  0.137  0.719  0.165  1.0
  B  B24  1  0.281  0.417  0.165  1.0
  B  B25  1  0.583  0.863  0.165  1.0
  H  H26  1  0.089  0.422  0.588  1.0
  H  H27  1  0.332  0.911  0.588  1.0
  H  H28  1  0.578  0.668  0.588  1.0
  H  H29  1  0.668  0.578  0.088  1.0
  H  H30  1  0.422  0.089  0.088  1.0
  H  H31  1  0.911  0.332  0.088  1.0
  H  H32  1  0.400  0.276  0.445  1.0
  H  H33  1  0.876  0.600  0.445  1.0
  H  H34  1  0.724  0.124  0.445  1.0
  H  H35  1  0.124  0.724  0.945  1.0
  H  H36  1  0.276  0.400  0.945  1.0
  H  H37  1  0.600  0.876  0.945  1.0
  H  H38  1  0.925  0.384  0.833  1.0
  H  H39  1  0.459  0.075  0.833  1.0
  H  H40  1  0.616  0.541  0.833  1.0
  H  H41  1  0.541  0.616  0.333  1.0
  H  H42  1  0.384  0.925  0.333  1.0
  H  H43  1  0.075  0.459  0.333  1.0
  H  H44  1  0.241  0.242  0.685  1.0
  H  H45  1  0.001  0.759  0.685  1.0
  H  H46  1  0.758  0.999  0.685  1.0
  H  H47  1  0.999  0.758  0.185  1.0
  H  H48  1  0.242  0.241  0.185  1.0
  H  H49  1  0.759  0.001  0.185  1.0
[/CIF]
.