The structure described by NaYb(BH4)4 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent H(1) and four equivalent H(4) atoms. Yb(1) is bonded to two equivalent H(2), two equivalent H(5), four equivalent H(3), and four equivalent H(6) atoms to form YbH12 cuboctahedra that share faces with two equivalent B(1)H4 tetrahedra and faces with two equivalent B(2)H4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), and two equivalent H(3) atoms to form BH4 tetrahedra that share  a faceface with one Yb(1)H12 cuboctahedra. In the second B site, B(2) is bonded to one H(4), one H(5), and two equivalent H(6) atoms to form BH4 tetrahedra that share  a faceface with one Yb(1)H12 cuboctahedra. There are six inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one Yb(1) and one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to two equivalent Na(1) and one B(2) atom. In the third H site, H(5) is bonded in a distorted single-bond geometry to one Yb(1) and one B(2) atom. In the fourth H site, H(6) is bonded in a distorted single-bond geometry to one Yb(1) and one B(2) atom. In the fifth H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the sixth H site, H(2) is bonded in a distorted single-bond geometry to one Yb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaYb(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   9.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.386
_symmetry_Int_Tables_number   1
_cell_volume   511.219
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.363  0.637  0.250  1.0
  Yb  Yb3  1  0.637  0.363  0.750  1.0
  B  B4  1  0.236  0.764  0.033  1.0
  B  B5  1  0.764  0.236  0.967  1.0
  B  B6  1  0.236  0.764  0.467  1.0
  B  B7  1  0.764  0.236  0.533  1.0
  B  B8  1  0.214  0.290  0.250  1.0
  B  B9  1  0.290  0.214  0.750  1.0
  B  B10  1  0.786  0.710  0.750  1.0
  B  B11  1  0.710  0.786  0.250  1.0
  H  H12  1  0.177  0.823  0.928  1.0
  H  H13  1  0.823  0.177  0.072  1.0
  H  H14  1  0.177  0.823  0.572  1.0
  H  H15  1  0.823  0.177  0.428  1.0
  H  H16  1  0.331  0.669  0.999  1.0
  H  H17  1  0.669  0.331  0.001  1.0
  H  H18  1  0.331  0.669  0.501  1.0
  H  H19  1  0.669  0.331  0.499  1.0
  H  H20  1  0.110  0.678  0.118  1.0
  H  H21  1  0.678  0.110  0.882  1.0
  H  H22  1  0.110  0.678  0.382  1.0
  H  H23  1  0.678  0.110  0.618  1.0
  H  H24  1  0.890  0.322  0.882  1.0
  H  H25  1  0.322  0.890  0.118  1.0
  H  H26  1  0.890  0.322  0.618  1.0
  H  H27  1  0.322  0.890  0.382  1.0
  H  H28  1  0.130  0.126  0.250  1.0
  H  H29  1  0.126  0.130  0.750  1.0
  H  H30  1  0.870  0.874  0.750  1.0
  H  H31  1  0.874  0.870  0.250  1.0
  H  H32  1  0.099  0.380  0.250  1.0
  H  H33  1  0.380  0.099  0.750  1.0
  H  H34  1  0.901  0.620  0.750  1.0
  H  H35  1  0.620  0.901  0.250  1.0
  H  H36  1  0.310  0.340  0.142  1.0
  H  H37  1  0.340  0.310  0.858  1.0
  H  H38  1  0.310  0.340  0.358  1.0
  H  H39  1  0.340  0.310  0.642  1.0
  H  H40  1  0.690  0.660  0.858  1.0
  H  H41  1  0.660  0.690  0.142  1.0
  H  H42  1  0.690  0.660  0.642  1.0
  H  H43  1  0.660  0.690  0.358  1.0
[/CIF]
.
The structure described by NaYb(BH4)4 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent H(1) and four equivalent H(4) atoms. Yb(1) is bonded to two equivalent H(2), two equivalent H(5), four equivalent H(3), and four equivalent H(6) atoms to form YbH12 cuboctahedra that share faces with two equivalent B(1)H4 tetrahedra and faces with two equivalent B(2)H4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), and two equivalent H(3) atoms to form BH4 tetrahedra that share  a faceface with one Yb(1)H12 cuboctahedra. In the second B site, B(2) is bonded to one H(4), one H(5), and two equivalent H(6) atoms to form BH4 tetrahedra that share  a faceface with one Yb(1)H12 cuboctahedra. There are six inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one Yb(1) and one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to two equivalent Na(1) and one B(2) atom. In the third H site, H(5) is bonded in a distorted single-bond geometry to one Yb(1) and one B(2) atom. In the fourth H site, H(6) is bonded in a distorted single-bond geometry to one Yb(1) and one B(2) atom. In the fifth H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the sixth H site, H(2) is bonded in a distorted single-bond geometry to one Yb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaYb(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   9.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.386
_symmetry_Int_Tables_number   1
_cell_volume   511.219
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.363  0.637  0.250  1.0
  Yb  Yb3  1  0.637  0.363  0.750  1.0
  B  B4  1  0.236  0.764  0.033  1.0
  B  B5  1  0.764  0.236  0.967  1.0
  B  B6  1  0.236  0.764  0.467  1.0
  B  B7  1  0.764  0.236  0.533  1.0
  B  B8  1  0.214  0.290  0.250  1.0
  B  B9  1  0.290  0.214  0.750  1.0
  B  B10  1  0.786  0.710  0.750  1.0
  B  B11  1  0.710  0.786  0.250  1.0
  H  H12  1  0.177  0.823  0.928  1.0
  H  H13  1  0.823  0.177  0.072  1.0
  H  H14  1  0.177  0.823  0.572  1.0
  H  H15  1  0.823  0.177  0.428  1.0
  H  H16  1  0.331  0.669  0.999  1.0
  H  H17  1  0.669  0.331  0.001  1.0
  H  H18  1  0.331  0.669  0.501  1.0
  H  H19  1  0.669  0.331  0.499  1.0
  H  H20  1  0.110  0.678  0.118  1.0
  H  H21  1  0.678  0.110  0.882  1.0
  H  H22  1  0.110  0.678  0.382  1.0
  H  H23  1  0.678  0.110  0.618  1.0
  H  H24  1  0.890  0.322  0.882  1.0
  H  H25  1  0.322  0.890  0.118  1.0
  H  H26  1  0.890  0.322  0.618  1.0
  H  H27  1  0.322  0.890  0.382  1.0
  H  H28  1  0.130  0.126  0.250  1.0
  H  H29  1  0.126  0.130  0.750  1.0
  H  H30  1  0.870  0.874  0.750  1.0
  H  H31  1  0.874  0.870  0.250  1.0
  H  H32  1  0.099  0.380  0.250  1.0
  H  H33  1  0.380  0.099  0.750  1.0
  H  H34  1  0.901  0.620  0.750  1.0
  H  H35  1  0.620  0.901  0.250  1.0
  H  H36  1  0.310  0.340  0.142  1.0
  H  H37  1  0.340  0.310  0.858  1.0
  H  H38  1  0.310  0.340  0.358  1.0
  H  H39  1  0.340  0.310  0.642  1.0
  H  H40  1  0.690  0.660  0.858  1.0
  H  H41  1  0.660  0.690  0.142  1.0
  H  H42  1  0.690  0.660  0.642  1.0
  H  H43  1  0.660  0.690  0.358  1.0
[/CIF]
.