The material structure described by KY(BH4)4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded to two equivalent H(3) and four equivalent H(5) atoms to form distorted KH6 octahedra that share corners with two equivalent B(1)H4 tetrahedra, corners with four equivalent B(2)H4 tetrahedra, and edges with two equivalent K(1)H6 octahedra. Y(1) is bonded to two equivalent H(4), two equivalent H(6), four equivalent H(1), and four equivalent H(2) 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(3), one H(4), and two equivalent H(1) atoms to form BH4 tetrahedra that share  a cornercorner with one K(1)H6 octahedra and  a faceface with one Y(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 66°. In the second B site, B(2) is bonded to one H(5), one H(6), and two equivalent H(2) atoms to form BH4 tetrahedra that share corners with two equivalent K(1)H6 octahedra and  a faceface with one Y(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 72°. There are six inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one K(1) and one B(1) atom. In the third H site, H(4) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to two equivalent K(1) and one B(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one Y(1) and one B(2) atom. In the sixth H site, H(1) 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_KY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   7.915
_cell_length_c   9.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.089
_symmetry_Int_Tables_number   1
_cell_volume   573.369
_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
  K  K0  1  0.000  0.000  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Y  Y2  1  0.364  0.636  0.250  1.0
  Y  Y3  1  0.636  0.364  0.750  1.0
  B  B4  1  0.258  0.742  0.044  1.0
  B  B5  1  0.742  0.258  0.956  1.0
  B  B6  1  0.258  0.742  0.456  1.0
  B  B7  1  0.742  0.258  0.544  1.0
  B  B8  1  0.246  0.297  0.250  1.0
  B  B9  1  0.297  0.246  0.750  1.0
  B  B10  1  0.754  0.703  0.750  1.0
  B  B11  1  0.703  0.754  0.250  1.0
  H  H12  1  0.130  0.643  0.116  1.0
  H  H13  1  0.643  0.130  0.884  1.0
  H  H14  1  0.130  0.643  0.384  1.0
  H  H15  1  0.643  0.130  0.616  1.0
  H  H16  1  0.870  0.357  0.884  1.0
  H  H17  1  0.357  0.870  0.116  1.0
  H  H18  1  0.870  0.357  0.616  1.0
  H  H19  1  0.357  0.870  0.384  1.0
  H  H20  1  0.341  0.363  0.149  1.0
  H  H21  1  0.363  0.341  0.851  1.0
  H  H22  1  0.341  0.363  0.351  1.0
  H  H23  1  0.363  0.341  0.649  1.0
  H  H24  1  0.659  0.637  0.851  1.0
  H  H25  1  0.637  0.659  0.149  1.0
  H  H26  1  0.659  0.637  0.649  1.0
  H  H27  1  0.637  0.659  0.351  1.0
  H  H28  1  0.205  0.795  0.945  1.0
  H  H29  1  0.795  0.205  0.055  1.0
  H  H30  1  0.205  0.795  0.555  1.0
  H  H31  1  0.795  0.205  0.445  1.0
  H  H32  1  0.350  0.650  0.013  1.0
  H  H33  1  0.650  0.350  0.987  1.0
  H  H34  1  0.350  0.650  0.487  1.0
  H  H35  1  0.650  0.350  0.513  1.0
  H  H36  1  0.197  0.133  0.250  1.0
  H  H37  1  0.133  0.197  0.750  1.0
  H  H38  1  0.803  0.867  0.750  1.0
  H  H39  1  0.867  0.803  0.250  1.0
  H  H40  1  0.118  0.351  0.250  1.0
  H  H41  1  0.351  0.118  0.750  1.0
  H  H42  1  0.882  0.649  0.750  1.0
  H  H43  1  0.649  0.882  0.250  1.0
[/CIF]
.
The material structure described by KY(BH4)4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded to two equivalent H(3) and four equivalent H(5) atoms to form distorted KH6 octahedra that share corners with two equivalent B(1)H4 tetrahedra, corners with four equivalent B(2)H4 tetrahedra, and edges with two equivalent K(1)H6 octahedra. Y(1) is bonded to two equivalent H(4), two equivalent H(6), four equivalent H(1), and four equivalent H(2) 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(3), one H(4), and two equivalent H(1) atoms to form BH4 tetrahedra that share  a cornercorner with one K(1)H6 octahedra and  a faceface with one Y(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 66°. In the second B site, B(2) is bonded to one H(5), one H(6), and two equivalent H(2) atoms to form BH4 tetrahedra that share corners with two equivalent K(1)H6 octahedra and  a faceface with one Y(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 72°. There are six inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to one Y(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one K(1) and one B(1) atom. In the third H site, H(4) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to two equivalent K(1) and one B(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one Y(1) and one B(2) atom. In the sixth H site, H(1) 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_KY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.915
_cell_length_b   7.915
_cell_length_c   9.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.089
_symmetry_Int_Tables_number   1
_cell_volume   573.369
_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
  K  K0  1  0.000  0.000  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Y  Y2  1  0.364  0.636  0.250  1.0
  Y  Y3  1  0.636  0.364  0.750  1.0
  B  B4  1  0.258  0.742  0.044  1.0
  B  B5  1  0.742  0.258  0.956  1.0
  B  B6  1  0.258  0.742  0.456  1.0
  B  B7  1  0.742  0.258  0.544  1.0
  B  B8  1  0.246  0.297  0.250  1.0
  B  B9  1  0.297  0.246  0.750  1.0
  B  B10  1  0.754  0.703  0.750  1.0
  B  B11  1  0.703  0.754  0.250  1.0
  H  H12  1  0.130  0.643  0.116  1.0
  H  H13  1  0.643  0.130  0.884  1.0
  H  H14  1  0.130  0.643  0.384  1.0
  H  H15  1  0.643  0.130  0.616  1.0
  H  H16  1  0.870  0.357  0.884  1.0
  H  H17  1  0.357  0.870  0.116  1.0
  H  H18  1  0.870  0.357  0.616  1.0
  H  H19  1  0.357  0.870  0.384  1.0
  H  H20  1  0.341  0.363  0.149  1.0
  H  H21  1  0.363  0.341  0.851  1.0
  H  H22  1  0.341  0.363  0.351  1.0
  H  H23  1  0.363  0.341  0.649  1.0
  H  H24  1  0.659  0.637  0.851  1.0
  H  H25  1  0.637  0.659  0.149  1.0
  H  H26  1  0.659  0.637  0.649  1.0
  H  H27  1  0.637  0.659  0.351  1.0
  H  H28  1  0.205  0.795  0.945  1.0
  H  H29  1  0.795  0.205  0.055  1.0
  H  H30  1  0.205  0.795  0.555  1.0
  H  H31  1  0.795  0.205  0.445  1.0
  H  H32  1  0.350  0.650  0.013  1.0
  H  H33  1  0.650  0.350  0.987  1.0
  H  H34  1  0.350  0.650  0.487  1.0
  H  H35  1  0.650  0.350  0.513  1.0
  H  H36  1  0.197  0.133  0.250  1.0
  H  H37  1  0.133  0.197  0.750  1.0
  H  H38  1  0.803  0.867  0.750  1.0
  H  H39  1  0.867  0.803  0.250  1.0
  H  H40  1  0.118  0.351  0.250  1.0
  H  H41  1  0.351  0.118  0.750  1.0
  H  H42  1  0.882  0.649  0.750  1.0
  H  H43  1  0.649  0.882  0.250  1.0
[/CIF]
.