The material structure described by KGd(BH4)4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 4-coordinate geometry to two equivalent H(5) and two equivalent H(6) atoms. Gd(1) is bonded in a distorted q6 geometry to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(7), and two equivalent H(8) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one H(5), one H(6), one H(7), and one H(8) atom. There are eight inequivalent H sites. In the first H site, H(6) is bonded in a distorted single-bond geometry to one K(1) and one B(2) atom. In the second H site, H(7) is bonded in a distorted single-bond geometry to one Gd(1) and one B(2) atom. In the third H site, H(8) is bonded in a distorted single-bond geometry to one Gd(1) and one B(2) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Gd(1) and one B(1) atom. In the fifth H site, H(2) is bonded in a distorted single-bond geometry to one Gd(1) and one B(1) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one Gd(1) and one B(1) atom. In the seventh H site, H(4) is bonded in a single-bond geometry to one B(1) atom. In the eighth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one B(2) atom. is represented by the CIF file [CIF]
data_KGd(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   8.253
_cell_length_c   7.756
_cell_angle_alpha   90.000
_cell_angle_beta   101.664
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.045
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Gd  Gd3  1  0.000  0.500  0.500  1.0
  B  B4  1  0.886  0.727  0.811  1.0
  B  B5  1  0.114  0.227  0.689  1.0
  B  B6  1  0.114  0.273  0.189  1.0
  B  B7  1  0.886  0.773  0.311  1.0
  B  B8  1  0.672  0.379  0.402  1.0
  B  B9  1  0.328  0.879  0.098  1.0
  B  B10  1  0.328  0.621  0.598  1.0
  B  B11  1  0.672  0.121  0.902  1.0
  H  H12  1  0.893  0.734  0.972  1.0
  H  H13  1  0.107  0.234  0.528  1.0
  H  H14  1  0.107  0.266  0.028  1.0
  H  H15  1  0.893  0.766  0.472  1.0
  H  H16  1  0.993  0.825  0.772  1.0
  H  H17  1  0.007  0.325  0.728  1.0
  H  H18  1  0.007  0.175  0.228  1.0
  H  H19  1  0.993  0.675  0.272  1.0
  H  H20  1  0.937  0.589  0.784  1.0
  H  H21  1  0.063  0.089  0.716  1.0
  H  H22  1  0.063  0.411  0.216  1.0
  H  H23  1  0.937  0.911  0.284  1.0
  H  H24  1  0.739  0.756  0.732  1.0
  H  H25  1  0.261  0.256  0.768  1.0
  H  H26  1  0.261  0.244  0.268  1.0
  H  H27  1  0.739  0.744  0.232  1.0
  H  H28  1  0.584  0.257  0.387  1.0
  H  H29  1  0.416  0.757  0.113  1.0
  H  H30  1  0.416  0.743  0.613  1.0
  H  H31  1  0.584  0.243  0.887  1.0
  H  H32  1  0.582  0.497  0.351  1.0
  H  H33  1  0.418  0.997  0.149  1.0
  H  H34  1  0.418  0.503  0.649  1.0
  H  H35  1  0.582  0.003  0.851  1.0
  H  H36  1  0.743  0.400  0.558  1.0
  H  H37  1  0.257  0.900  0.942  1.0
  H  H38  1  0.257  0.600  0.442  1.0
  H  H39  1  0.743  0.100  0.058  1.0
  H  H40  1  0.787  0.359  0.313  1.0
  H  H41  1  0.213  0.859  0.187  1.0
  H  H42  1  0.213  0.641  0.687  1.0
  H  H43  1  0.787  0.141  0.813  1.0
[/CIF]
.
The material structure described by KGd(BH4)4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 4-coordinate geometry to two equivalent H(5) and two equivalent H(6) atoms. Gd(1) is bonded in a distorted q6 geometry to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(7), and two equivalent H(8) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one H(5), one H(6), one H(7), and one H(8) atom. There are eight inequivalent H sites. In the first H site, H(6) is bonded in a distorted single-bond geometry to one K(1) and one B(2) atom. In the second H site, H(7) is bonded in a distorted single-bond geometry to one Gd(1) and one B(2) atom. In the third H site, H(8) is bonded in a distorted single-bond geometry to one Gd(1) and one B(2) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Gd(1) and one B(1) atom. In the fifth H site, H(2) is bonded in a distorted single-bond geometry to one Gd(1) and one B(1) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one Gd(1) and one B(1) atom. In the seventh H site, H(4) is bonded in a single-bond geometry to one B(1) atom. In the eighth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one B(2) atom. is represented by the CIF file [CIF]
data_KGd(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   8.253
_cell_length_c   7.756
_cell_angle_alpha   90.000
_cell_angle_beta   101.664
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.045
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Gd  Gd3  1  0.000  0.500  0.500  1.0
  B  B4  1  0.886  0.727  0.811  1.0
  B  B5  1  0.114  0.227  0.689  1.0
  B  B6  1  0.114  0.273  0.189  1.0
  B  B7  1  0.886  0.773  0.311  1.0
  B  B8  1  0.672  0.379  0.402  1.0
  B  B9  1  0.328  0.879  0.098  1.0
  B  B10  1  0.328  0.621  0.598  1.0
  B  B11  1  0.672  0.121  0.902  1.0
  H  H12  1  0.893  0.734  0.972  1.0
  H  H13  1  0.107  0.234  0.528  1.0
  H  H14  1  0.107  0.266  0.028  1.0
  H  H15  1  0.893  0.766  0.472  1.0
  H  H16  1  0.993  0.825  0.772  1.0
  H  H17  1  0.007  0.325  0.728  1.0
  H  H18  1  0.007  0.175  0.228  1.0
  H  H19  1  0.993  0.675  0.272  1.0
  H  H20  1  0.937  0.589  0.784  1.0
  H  H21  1  0.063  0.089  0.716  1.0
  H  H22  1  0.063  0.411  0.216  1.0
  H  H23  1  0.937  0.911  0.284  1.0
  H  H24  1  0.739  0.756  0.732  1.0
  H  H25  1  0.261  0.256  0.768  1.0
  H  H26  1  0.261  0.244  0.268  1.0
  H  H27  1  0.739  0.744  0.232  1.0
  H  H28  1  0.584  0.257  0.387  1.0
  H  H29  1  0.416  0.757  0.113  1.0
  H  H30  1  0.416  0.743  0.613  1.0
  H  H31  1  0.584  0.243  0.887  1.0
  H  H32  1  0.582  0.497  0.351  1.0
  H  H33  1  0.418  0.997  0.149  1.0
  H  H34  1  0.418  0.503  0.649  1.0
  H  H35  1  0.582  0.003  0.851  1.0
  H  H36  1  0.743  0.400  0.558  1.0
  H  H37  1  0.257  0.900  0.942  1.0
  H  H38  1  0.257  0.600  0.442  1.0
  H  H39  1  0.743  0.100  0.058  1.0
  H  H40  1  0.787  0.359  0.313  1.0
  H  H41  1  0.213  0.859  0.187  1.0
  H  H42  1  0.213  0.641  0.687  1.0
  H  H43  1  0.787  0.141  0.813  1.0
[/CIF]
.