The material described by YbBH4 crystallizes in the orthorhombic Pmmn space group. Yb(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one H(3), one H(4), two equivalent H(5), and two equivalent H(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one H(3) and two equivalent H(5) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one H(4) and two equivalent H(6) atoms. There are six inequivalent H sites. In the first H site, H(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one B(1) atom. In the second H site, H(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one B(2) atom. In the third H site, H(1) is bonded in a bent 150 degrees geometry to two equivalent Yb(1) atoms. In the fourth H site, H(2) is bonded in a bent 150 degrees geometry to two equivalent Yb(1) atoms. In the fifth H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one B(1) atom. In the sixth H site, H(4) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one B(2) atom. is represented by the CIF file [CIF]
data_YbBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.813
_cell_length_b   8.540
_cell_length_c   8.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.623
_cell_formula_units_Z   8
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
  Yb  Yb0  1  0.250  0.017  0.983  1.0
  Yb  Yb1  1  0.250  0.483  0.983  1.0
  Yb  Yb2  1  0.250  0.017  0.517  1.0
  Yb  Yb3  1  0.250  0.483  0.517  1.0
  Yb  Yb4  1  0.750  0.983  0.017  1.0
  Yb  Yb5  1  0.750  0.517  0.017  1.0
  Yb  Yb6  1  0.750  0.983  0.483  1.0
  Yb  Yb7  1  0.750  0.517  0.483  1.0
  B  B8  1  0.441  0.750  0.032  1.0
  B  B9  1  0.441  0.750  0.468  1.0
  B  B10  1  0.937  0.031  0.750  1.0
  B  B11  1  0.937  0.469  0.750  1.0
  B  B12  1  0.559  0.250  0.968  1.0
  B  B13  1  0.559  0.250  0.532  1.0
  B  B14  1  0.063  0.969  0.250  1.0
  B  B15  1  0.063  0.531  0.250  1.0
  H  H16  1  0.321  0.985  0.750  1.0
  H  H17  1  0.321  0.515  0.750  1.0
  H  H18  1  0.832  0.750  0.985  1.0
  H  H19  1  0.832  0.750  0.515  1.0
  H  H20  1  0.679  0.015  0.250  1.0
  H  H21  1  0.679  0.485  0.250  1.0
  H  H22  1  0.168  0.250  0.015  1.0
  H  H23  1  0.168  0.250  0.485  1.0
  H  H24  1  0.364  0.750  0.911  1.0
  H  H25  1  0.364  0.750  0.589  1.0
  H  H26  1  0.858  0.910  0.750  1.0
  H  H27  1  0.858  0.590  0.750  1.0
  H  H28  1  0.636  0.250  0.089  1.0
  H  H29  1  0.636  0.250  0.411  1.0
  H  H30  1  0.142  0.090  0.250  1.0
  H  H31  1  0.142  0.410  0.250  1.0
  H  H32  1  0.524  0.130  0.899  1.0
  H  H33  1  0.524  0.370  0.899  1.0
  H  H34  1  0.524  0.130  0.601  1.0
  H  H35  1  0.524  0.370  0.601  1.0
  H  H36  1  0.026  0.900  0.131  1.0
  H  H37  1  0.026  0.600  0.131  1.0
  H  H38  1  0.026  0.900  0.369  1.0
  H  H39  1  0.026  0.600  0.369  1.0
  H  H40  1  0.476  0.870  0.101  1.0
  H  H41  1  0.476  0.630  0.101  1.0
  H  H42  1  0.476  0.870  0.399  1.0
  H  H43  1  0.476  0.630  0.399  1.0
  H  H44  1  0.974  0.100  0.869  1.0
  H  H45  1  0.974  0.400  0.869  1.0
  H  H46  1  0.974  0.100  0.631  1.0
  H  H47  1  0.974  0.400  0.631  1.0
[/CIF]
.
The material described by YbBH4 crystallizes in the orthorhombic Pmmn space group. Yb(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one H(3), one H(4), two equivalent H(5), and two equivalent H(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one H(3) and two equivalent H(5) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one H(4) and two equivalent H(6) atoms. There are six inequivalent H sites. In the first H site, H(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one B(1) atom. In the second H site, H(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one B(2) atom. In the third H site, H(1) is bonded in a bent 150 degrees geometry to two equivalent Yb(1) atoms. In the fourth H site, H(2) is bonded in a bent 150 degrees geometry to two equivalent Yb(1) atoms. In the fifth H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one B(1) atom. In the sixth H site, H(4) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one B(2) atom. is represented by the CIF file [CIF]
data_YbBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.813
_cell_length_b   8.540
_cell_length_c   8.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.623
_cell_formula_units_Z   8
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
  Yb  Yb0  1  0.250  0.017  0.983  1.0
  Yb  Yb1  1  0.250  0.483  0.983  1.0
  Yb  Yb2  1  0.250  0.017  0.517  1.0
  Yb  Yb3  1  0.250  0.483  0.517  1.0
  Yb  Yb4  1  0.750  0.983  0.017  1.0
  Yb  Yb5  1  0.750  0.517  0.017  1.0
  Yb  Yb6  1  0.750  0.983  0.483  1.0
  Yb  Yb7  1  0.750  0.517  0.483  1.0
  B  B8  1  0.441  0.750  0.032  1.0
  B  B9  1  0.441  0.750  0.468  1.0
  B  B10  1  0.937  0.031  0.750  1.0
  B  B11  1  0.937  0.469  0.750  1.0
  B  B12  1  0.559  0.250  0.968  1.0
  B  B13  1  0.559  0.250  0.532  1.0
  B  B14  1  0.063  0.969  0.250  1.0
  B  B15  1  0.063  0.531  0.250  1.0
  H  H16  1  0.321  0.985  0.750  1.0
  H  H17  1  0.321  0.515  0.750  1.0
  H  H18  1  0.832  0.750  0.985  1.0
  H  H19  1  0.832  0.750  0.515  1.0
  H  H20  1  0.679  0.015  0.250  1.0
  H  H21  1  0.679  0.485  0.250  1.0
  H  H22  1  0.168  0.250  0.015  1.0
  H  H23  1  0.168  0.250  0.485  1.0
  H  H24  1  0.364  0.750  0.911  1.0
  H  H25  1  0.364  0.750  0.589  1.0
  H  H26  1  0.858  0.910  0.750  1.0
  H  H27  1  0.858  0.590  0.750  1.0
  H  H28  1  0.636  0.250  0.089  1.0
  H  H29  1  0.636  0.250  0.411  1.0
  H  H30  1  0.142  0.090  0.250  1.0
  H  H31  1  0.142  0.410  0.250  1.0
  H  H32  1  0.524  0.130  0.899  1.0
  H  H33  1  0.524  0.370  0.899  1.0
  H  H34  1  0.524  0.130  0.601  1.0
  H  H35  1  0.524  0.370  0.601  1.0
  H  H36  1  0.026  0.900  0.131  1.0
  H  H37  1  0.026  0.600  0.131  1.0
  H  H38  1  0.026  0.900  0.369  1.0
  H  H39  1  0.026  0.600  0.369  1.0
  H  H40  1  0.476  0.870  0.101  1.0
  H  H41  1  0.476  0.630  0.101  1.0
  H  H42  1  0.476  0.870  0.399  1.0
  H  H43  1  0.476  0.630  0.399  1.0
  H  H44  1  0.974  0.100  0.869  1.0
  H  H45  1  0.974  0.400  0.869  1.0
  H  H46  1  0.974  0.100  0.631  1.0
  H  H47  1  0.974  0.400  0.631  1.0
[/CIF]
.