The material described by Lu(BH4)3 crystallizes in the cubic Fm-3c space group. Lu(1) is bonded to twelve equivalent H(1) atoms to form LuH12 cuboctahedra that share edges with six equivalent B(1)H4 tetrahedra. B(1) is bonded to four equivalent H(1) atoms to form BH4 tetrahedra that share edges with two equivalent Lu(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to one Lu(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Lu(BH4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.613
_cell_length_b   7.613
_cell_length_c   7.613
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.941
_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
  B  B0  1  0.250  0.750  0.750  1.0
  B  B1  1  0.750  0.250  0.250  1.0
  B  B2  1  0.750  0.250  0.750  1.0
  B  B3  1  0.250  0.750  0.250  1.0
  B  B4  1  0.750  0.750  0.250  1.0
  B  B5  1  0.250  0.250  0.750  1.0
  H  H6  1  0.908  0.092  0.282  1.0
  H  H7  1  0.092  0.908  0.718  1.0
  H  H8  1  0.282  0.718  0.908  1.0
  H  H9  1  0.718  0.282  0.092  1.0
  H  H10  1  0.282  0.908  0.092  1.0
  H  H11  1  0.718  0.092  0.908  1.0
  H  H12  1  0.908  0.282  0.718  1.0
  H  H13  1  0.092  0.718  0.282  1.0
  H  H14  1  0.092  0.282  0.908  1.0
  H  H15  1  0.908  0.718  0.092  1.0
  H  H16  1  0.718  0.908  0.282  1.0
  H  H17  1  0.282  0.092  0.718  1.0
  H  H18  1  0.408  0.782  0.592  1.0
  H  H19  1  0.592  0.218  0.408  1.0
  H  H20  1  0.782  0.408  0.218  1.0
  H  H21  1  0.218  0.592  0.782  1.0
  H  H22  1  0.782  0.592  0.408  1.0
  H  H23  1  0.218  0.408  0.592  1.0
  H  H24  1  0.408  0.218  0.782  1.0
  H  H25  1  0.592  0.782  0.218  1.0
  H  H26  1  0.592  0.408  0.782  1.0
  H  H27  1  0.408  0.592  0.218  1.0
  H  H28  1  0.218  0.782  0.408  1.0
  H  H29  1  0.782  0.218  0.592  1.0
  Lu  Lu30  1  0.000  0.000  0.000  1.0
  Lu  Lu31  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by Lu(BH4)3 crystallizes in the cubic Fm-3c space group. Lu(1) is bonded to twelve equivalent H(1) atoms to form LuH12 cuboctahedra that share edges with six equivalent B(1)H4 tetrahedra. B(1) is bonded to four equivalent H(1) atoms to form BH4 tetrahedra that share edges with two equivalent Lu(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to one Lu(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Lu(BH4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.613
_cell_length_b   7.613
_cell_length_c   7.613
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.941
_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
  B  B0  1  0.250  0.750  0.750  1.0
  B  B1  1  0.750  0.250  0.250  1.0
  B  B2  1  0.750  0.250  0.750  1.0
  B  B3  1  0.250  0.750  0.250  1.0
  B  B4  1  0.750  0.750  0.250  1.0
  B  B5  1  0.250  0.250  0.750  1.0
  H  H6  1  0.908  0.092  0.282  1.0
  H  H7  1  0.092  0.908  0.718  1.0
  H  H8  1  0.282  0.718  0.908  1.0
  H  H9  1  0.718  0.282  0.092  1.0
  H  H10  1  0.282  0.908  0.092  1.0
  H  H11  1  0.718  0.092  0.908  1.0
  H  H12  1  0.908  0.282  0.718  1.0
  H  H13  1  0.092  0.718  0.282  1.0
  H  H14  1  0.092  0.282  0.908  1.0
  H  H15  1  0.908  0.718  0.092  1.0
  H  H16  1  0.718  0.908  0.282  1.0
  H  H17  1  0.282  0.092  0.718  1.0
  H  H18  1  0.408  0.782  0.592  1.0
  H  H19  1  0.592  0.218  0.408  1.0
  H  H20  1  0.782  0.408  0.218  1.0
  H  H21  1  0.218  0.592  0.782  1.0
  H  H22  1  0.782  0.592  0.408  1.0
  H  H23  1  0.218  0.408  0.592  1.0
  H  H24  1  0.408  0.218  0.782  1.0
  H  H25  1  0.592  0.782  0.218  1.0
  H  H26  1  0.592  0.408  0.782  1.0
  H  H27  1  0.408  0.592  0.218  1.0
  H  H28  1  0.218  0.782  0.408  1.0
  H  H29  1  0.782  0.218  0.592  1.0
  Lu  Lu30  1  0.000  0.000  0.000  1.0
  Lu  Lu31  1  0.500  0.500  0.500  1.0
[/CIF]
.