The material structure described by CsY(BH4)4 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent H(4) atoms. Y(1) is bonded in a 12-coordinate geometry to four equivalent H(1), four equivalent H(2), and four equivalent H(3) atoms. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four 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(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.889
_cell_length_b   10.889
_cell_length_c   10.889
_cell_angle_alpha   138.761
_cell_angle_beta   138.761
_cell_angle_gamma   59.739
_symmetry_Int_Tables_number   1
_cell_volume   555.374
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  B  B4  1  0.063  0.928  0.634  1.0
  B  B5  1  0.294  0.429  0.366  1.0
  B  B6  1  0.456  0.821  0.134  1.0
  B  B7  1  0.687  0.322  0.866  1.0
  B  B8  1  0.072  0.706  0.135  1.0
  B  B9  1  0.571  0.937  0.865  1.0
  B  B10  1  0.179  0.313  0.635  1.0
  B  B11  1  0.678  0.544  0.365  1.0
  H  H12  1  0.960  0.831  0.410  1.0
  H  H13  1  0.421  0.550  0.590  1.0
  H  H14  1  0.329  0.700  0.910  1.0
  H  H15  1  0.790  0.419  0.090  1.0
  H  H16  1  0.169  0.579  0.129  1.0
  H  H17  1  0.450  0.040  0.871  1.0
  H  H18  1  0.300  0.210  0.629  1.0
  H  H19  1  0.581  0.671  0.371  1.0
  H  H20  1  0.151  0.820  0.677  1.0
  H  H21  1  0.143  0.474  0.323  1.0
  H  H22  1  0.607  0.776  0.177  1.0
  H  H23  1  0.599  0.430  0.823  1.0
  H  H24  1  0.180  0.857  0.332  1.0
  H  H25  1  0.526  0.849  0.668  1.0
  H  H26  1  0.224  0.401  0.832  1.0
  H  H27  1  0.570  0.393  0.168  1.0
  H  H28  1  0.179  0.036  0.742  1.0
  H  H29  1  0.293  0.436  0.258  1.0
  H  H30  1  0.457  0.814  0.242  1.0
  H  H31  1  0.571  0.214  0.758  1.0
  H  H32  1  0.964  0.707  0.143  1.0
  H  H33  1  0.564  0.821  0.857  1.0
  H  H34  1  0.186  0.429  0.643  1.0
  H  H35  1  0.786  0.543  0.357  1.0
  H  H36  1  0.973  0.014  0.698  1.0
  H  H37  1  0.316  0.275  0.302  1.0
  H  H38  1  0.434  0.975  0.198  1.0
  H  H39  1  0.777  0.236  0.802  1.0
  H  H40  1  0.986  0.684  0.959  1.0
  H  H41  1  0.725  0.027  0.041  1.0
  H  H42  1  0.025  0.223  0.459  1.0
  H  H43  1  0.764  0.566  0.541  1.0
[/CIF]
.
The material structure described by CsY(BH4)4 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent H(4) atoms. Y(1) is bonded in a 12-coordinate geometry to four equivalent H(1), four equivalent H(2), and four equivalent H(3) atoms. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four 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(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsY(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.889
_cell_length_b   10.889
_cell_length_c   10.889
_cell_angle_alpha   138.761
_cell_angle_beta   138.761
_cell_angle_gamma   59.739
_symmetry_Int_Tables_number   1
_cell_volume   555.374
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  B  B4  1  0.063  0.928  0.634  1.0
  B  B5  1  0.294  0.429  0.366  1.0
  B  B6  1  0.456  0.821  0.134  1.0
  B  B7  1  0.687  0.322  0.866  1.0
  B  B8  1  0.072  0.706  0.135  1.0
  B  B9  1  0.571  0.937  0.865  1.0
  B  B10  1  0.179  0.313  0.635  1.0
  B  B11  1  0.678  0.544  0.365  1.0
  H  H12  1  0.960  0.831  0.410  1.0
  H  H13  1  0.421  0.550  0.590  1.0
  H  H14  1  0.329  0.700  0.910  1.0
  H  H15  1  0.790  0.419  0.090  1.0
  H  H16  1  0.169  0.579  0.129  1.0
  H  H17  1  0.450  0.040  0.871  1.0
  H  H18  1  0.300  0.210  0.629  1.0
  H  H19  1  0.581  0.671  0.371  1.0
  H  H20  1  0.151  0.820  0.677  1.0
  H  H21  1  0.143  0.474  0.323  1.0
  H  H22  1  0.607  0.776  0.177  1.0
  H  H23  1  0.599  0.430  0.823  1.0
  H  H24  1  0.180  0.857  0.332  1.0
  H  H25  1  0.526  0.849  0.668  1.0
  H  H26  1  0.224  0.401  0.832  1.0
  H  H27  1  0.570  0.393  0.168  1.0
  H  H28  1  0.179  0.036  0.742  1.0
  H  H29  1  0.293  0.436  0.258  1.0
  H  H30  1  0.457  0.814  0.242  1.0
  H  H31  1  0.571  0.214  0.758  1.0
  H  H32  1  0.964  0.707  0.143  1.0
  H  H33  1  0.564  0.821  0.857  1.0
  H  H34  1  0.186  0.429  0.643  1.0
  H  H35  1  0.786  0.543  0.357  1.0
  H  H36  1  0.973  0.014  0.698  1.0
  H  H37  1  0.316  0.275  0.302  1.0
  H  H38  1  0.434  0.975  0.198  1.0
  H  H39  1  0.777  0.236  0.802  1.0
  H  H40  1  0.986  0.684  0.959  1.0
  H  H41  1  0.725  0.027  0.041  1.0
  H  H42  1  0.025  0.223  0.459  1.0
  H  H43  1  0.764  0.566  0.541  1.0
[/CIF]
.