The material described by NaY(BH4)4 crystallizes in the orthorhombic C222_1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent H(1), two equivalent H(5), and two equivalent H(7) atoms. Y(1) is bonded to two equivalent H(2), two equivalent H(3), two equivalent H(4), two equivalent H(6), two equivalent H(7), and two equivalent H(8) atoms to form distorted YH12 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), one H(3), and one H(4) atom to form BH4 tetrahedra that share  a faceface with one Y(1)H12 cuboctahedra. In the second B site, B(2) is bonded to one H(5), one H(6), one H(7), and one H(8) atom to form BH4 tetrahedra that share  a faceface with one Y(1)H12 cuboctahedra. There are eight inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the second H site, H(4) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(5) is bonded in a distorted single-bond geometry to one Na(1) and one B(2) atom. In the fourth H site, H(6) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one Na(1), one Y(1), and one B(2) atom. In the sixth H site, H(8) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the seventh H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the eighth H site, H(2) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.530
_cell_length_b   7.530
_cell_length_c   9.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.650
_symmetry_Int_Tables_number   1
_cell_volume   492.194
_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  0.062  0.062  0.000  1.0
  Na  Na1  1  0.938  0.938  0.500  1.0
  Y  Y2  1  0.652  0.348  0.750  1.0
  Y  Y3  1  0.348  0.652  0.250  1.0
  B  B4  1  0.232  0.771  0.032  1.0
  B  B5  1  0.771  0.232  0.968  1.0
  B  B6  1  0.768  0.229  0.532  1.0
  B  B7  1  0.229  0.768  0.468  1.0
  B  B8  1  0.228  0.301  0.250  1.0
  B  B9  1  0.301  0.228  0.750  1.0
  B  B10  1  0.772  0.699  0.750  1.0
  B  B11  1  0.699  0.772  0.250  1.0
  H  H12  1  0.175  0.824  0.924  1.0
  H  H13  1  0.824  0.175  0.076  1.0
  H  H14  1  0.825  0.176  0.424  1.0
  H  H15  1  0.176  0.825  0.576  1.0
  H  H16  1  0.357  0.706  0.000  1.0
  H  H17  1  0.706  0.357  1.000  1.0
  H  H18  1  0.643  0.294  0.500  1.0
  H  H19  1  0.294  0.643  0.500  1.0
  H  H20  1  0.105  0.646  0.095  1.0
  H  H21  1  0.646  0.105  0.905  1.0
  H  H22  1  0.895  0.354  0.595  1.0
  H  H23  1  0.354  0.895  0.405  1.0
  H  H24  1  0.100  0.698  0.379  1.0
  H  H25  1  0.698  0.100  0.621  1.0
  H  H26  1  0.900  0.302  0.879  1.0
  H  H27  1  0.302  0.900  0.121  1.0
  H  H28  1  0.165  0.131  0.255  1.0
  H  H29  1  0.131  0.165  0.745  1.0
  H  H30  1  0.835  0.869  0.755  1.0
  H  H31  1  0.869  0.835  0.245  1.0
  H  H32  1  0.103  0.370  0.275  1.0
  H  H33  1  0.370  0.103  0.725  1.0
  H  H34  1  0.897  0.630  0.775  1.0
  H  H35  1  0.630  0.897  0.225  1.0
  H  H36  1  0.296  0.359  0.129  1.0
  H  H37  1  0.359  0.296  0.871  1.0
  H  H38  1  0.704  0.641  0.629  1.0
  H  H39  1  0.641  0.704  0.371  1.0
  H  H40  1  0.355  0.363  0.340  1.0
  H  H41  1  0.363  0.355  0.660  1.0
  H  H42  1  0.645  0.637  0.840  1.0
  H  H43  1  0.637  0.645  0.160  1.0
[/CIF]
.
The material described by NaY(BH4)4 crystallizes in the orthorhombic C222_1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent H(1), two equivalent H(5), and two equivalent H(7) atoms. Y(1) is bonded to two equivalent H(2), two equivalent H(3), two equivalent H(4), two equivalent H(6), two equivalent H(7), and two equivalent H(8) atoms to form distorted YH12 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), one H(3), and one H(4) atom to form BH4 tetrahedra that share  a faceface with one Y(1)H12 cuboctahedra. In the second B site, B(2) is bonded to one H(5), one H(6), one H(7), and one H(8) atom to form BH4 tetrahedra that share  a faceface with one Y(1)H12 cuboctahedra. There are eight inequivalent H sites. In the first H site, H(3) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the second H site, H(4) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(5) is bonded in a distorted single-bond geometry to one Na(1) and one B(2) atom. In the fourth H site, H(6) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one Na(1), one Y(1), and one B(2) atom. In the sixth H site, H(8) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the seventh H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the eighth H site, H(2) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.530
_cell_length_b   7.530
_cell_length_c   9.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.650
_symmetry_Int_Tables_number   1
_cell_volume   492.194
_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  0.062  0.062  0.000  1.0
  Na  Na1  1  0.938  0.938  0.500  1.0
  Y  Y2  1  0.652  0.348  0.750  1.0
  Y  Y3  1  0.348  0.652  0.250  1.0
  B  B4  1  0.232  0.771  0.032  1.0
  B  B5  1  0.771  0.232  0.968  1.0
  B  B6  1  0.768  0.229  0.532  1.0
  B  B7  1  0.229  0.768  0.468  1.0
  B  B8  1  0.228  0.301  0.250  1.0
  B  B9  1  0.301  0.228  0.750  1.0
  B  B10  1  0.772  0.699  0.750  1.0
  B  B11  1  0.699  0.772  0.250  1.0
  H  H12  1  0.175  0.824  0.924  1.0
  H  H13  1  0.824  0.175  0.076  1.0
  H  H14  1  0.825  0.176  0.424  1.0
  H  H15  1  0.176  0.825  0.576  1.0
  H  H16  1  0.357  0.706  0.000  1.0
  H  H17  1  0.706  0.357  1.000  1.0
  H  H18  1  0.643  0.294  0.500  1.0
  H  H19  1  0.294  0.643  0.500  1.0
  H  H20  1  0.105  0.646  0.095  1.0
  H  H21  1  0.646  0.105  0.905  1.0
  H  H22  1  0.895  0.354  0.595  1.0
  H  H23  1  0.354  0.895  0.405  1.0
  H  H24  1  0.100  0.698  0.379  1.0
  H  H25  1  0.698  0.100  0.621  1.0
  H  H26  1  0.900  0.302  0.879  1.0
  H  H27  1  0.302  0.900  0.121  1.0
  H  H28  1  0.165  0.131  0.255  1.0
  H  H29  1  0.131  0.165  0.745  1.0
  H  H30  1  0.835  0.869  0.755  1.0
  H  H31  1  0.869  0.835  0.245  1.0
  H  H32  1  0.103  0.370  0.275  1.0
  H  H33  1  0.370  0.103  0.725  1.0
  H  H34  1  0.897  0.630  0.775  1.0
  H  H35  1  0.630  0.897  0.225  1.0
  H  H36  1  0.296  0.359  0.129  1.0
  H  H37  1  0.359  0.296  0.871  1.0
  H  H38  1  0.704  0.641  0.629  1.0
  H  H39  1  0.641  0.704  0.371  1.0
  H  H40  1  0.355  0.363  0.340  1.0
  H  H41  1  0.363  0.355  0.660  1.0
  H  H42  1  0.645  0.637  0.840  1.0
  H  H43  1  0.637  0.645  0.160  1.0
[/CIF]
.