The material described by BeH6(NF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BeH6(NF)2 clusters. Be(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one F(1), and one F(2) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded to one Be(1), one H(4), one H(5), and one H(6) atom to form corner-sharing NBeH3 tetrahedra. In the second N site, N(1) is bonded to one Be(1), one H(1), one H(2), and one H(3) atom to form corner-sharing NBeH3 tetrahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Be(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Be(1) atom. is represented by the CIF card [CIF]
data_BeH6(NF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   7.148
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   92.765
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.674
_cell_formula_units_Z   4
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
  Be  Be0  1  0.364  0.363  0.315  1.0
  Be  Be1  1  0.636  0.863  0.185  1.0
  Be  Be2  1  0.636  0.637  0.685  1.0
  Be  Be3  1  0.364  0.137  0.815  1.0
  H  H4  1  0.259  0.163  0.488  1.0
  H  H5  1  0.741  0.663  0.012  1.0
  H  H6  1  0.741  0.837  0.512  1.0
  H  H7  1  0.259  0.337  0.988  1.0
  H  H8  1  0.023  0.160  0.372  1.0
  H  H9  1  0.977  0.660  0.128  1.0
  H  H10  1  0.977  0.840  0.628  1.0
  H  H11  1  0.023  0.340  0.872  1.0
  H  H12  1  0.308  0.049  0.353  1.0
  H  H13  1  0.692  0.549  0.147  1.0
  H  H14  1  0.692  0.951  0.647  1.0
  H  H15  1  0.308  0.451  0.853  1.0
  H  H16  1  0.292  0.680  0.331  1.0
  H  H17  1  0.708  0.180  0.169  1.0
  H  H18  1  0.708  0.320  0.669  1.0
  H  H19  1  0.292  0.820  0.831  1.0
  H  H20  1  0.016  0.565  0.362  1.0
  H  H21  1  0.984  0.065  0.138  1.0
  H  H22  1  0.984  0.435  0.638  1.0
  H  H23  1  0.016  0.935  0.862  1.0
  H  H24  1  0.261  0.586  0.474  1.0
  H  H25  1  0.739  0.086  0.026  1.0
  H  H26  1  0.739  0.414  0.526  1.0
  H  H27  1  0.261  0.914  0.974  1.0
  N  N28  1  0.225  0.168  0.389  1.0
  N  N29  1  0.775  0.668  0.111  1.0
  N  N30  1  0.775  0.832  0.611  1.0
  N  N31  1  0.225  0.332  0.889  1.0
  N  N32  1  0.219  0.565  0.377  1.0
  N  N33  1  0.781  0.065  0.123  1.0
  N  N34  1  0.781  0.435  0.623  1.0
  N  N35  1  0.219  0.935  0.877  1.0
  F  F36  1  0.669  0.367  0.352  1.0
  F  F37  1  0.331  0.867  0.148  1.0
  F  F38  1  0.331  0.633  0.648  1.0
  F  F39  1  0.669  0.133  0.852  1.0
  F  F40  1  0.307  0.354  0.169  1.0
  F  F41  1  0.693  0.854  0.331  1.0
  F  F42  1  0.693  0.646  0.831  1.0
  F  F43  1  0.307  0.146  0.669  1.0
[/CIF]
.
The material described by BeH6(NF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BeH6(NF)2 clusters. Be(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one F(1), and one F(2) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded to one Be(1), one H(4), one H(5), and one H(6) atom to form corner-sharing NBeH3 tetrahedra. In the second N site, N(1) is bonded to one Be(1), one H(1), one H(2), and one H(3) atom to form corner-sharing NBeH3 tetrahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Be(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Be(1) atom. is represented by the CIF card [CIF]
data_BeH6(NF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   7.148
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   92.765
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.674
_cell_formula_units_Z   4
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
  Be  Be0  1  0.364  0.363  0.315  1.0
  Be  Be1  1  0.636  0.863  0.185  1.0
  Be  Be2  1  0.636  0.637  0.685  1.0
  Be  Be3  1  0.364  0.137  0.815  1.0
  H  H4  1  0.259  0.163  0.488  1.0
  H  H5  1  0.741  0.663  0.012  1.0
  H  H6  1  0.741  0.837  0.512  1.0
  H  H7  1  0.259  0.337  0.988  1.0
  H  H8  1  0.023  0.160  0.372  1.0
  H  H9  1  0.977  0.660  0.128  1.0
  H  H10  1  0.977  0.840  0.628  1.0
  H  H11  1  0.023  0.340  0.872  1.0
  H  H12  1  0.308  0.049  0.353  1.0
  H  H13  1  0.692  0.549  0.147  1.0
  H  H14  1  0.692  0.951  0.647  1.0
  H  H15  1  0.308  0.451  0.853  1.0
  H  H16  1  0.292  0.680  0.331  1.0
  H  H17  1  0.708  0.180  0.169  1.0
  H  H18  1  0.708  0.320  0.669  1.0
  H  H19  1  0.292  0.820  0.831  1.0
  H  H20  1  0.016  0.565  0.362  1.0
  H  H21  1  0.984  0.065  0.138  1.0
  H  H22  1  0.984  0.435  0.638  1.0
  H  H23  1  0.016  0.935  0.862  1.0
  H  H24  1  0.261  0.586  0.474  1.0
  H  H25  1  0.739  0.086  0.026  1.0
  H  H26  1  0.739  0.414  0.526  1.0
  H  H27  1  0.261  0.914  0.974  1.0
  N  N28  1  0.225  0.168  0.389  1.0
  N  N29  1  0.775  0.668  0.111  1.0
  N  N30  1  0.775  0.832  0.611  1.0
  N  N31  1  0.225  0.332  0.889  1.0
  N  N32  1  0.219  0.565  0.377  1.0
  N  N33  1  0.781  0.065  0.123  1.0
  N  N34  1  0.781  0.435  0.623  1.0
  N  N35  1  0.219  0.935  0.877  1.0
  F  F36  1  0.669  0.367  0.352  1.0
  F  F37  1  0.331  0.867  0.148  1.0
  F  F38  1  0.331  0.633  0.648  1.0
  F  F39  1  0.669  0.133  0.852  1.0
  F  F40  1  0.307  0.354  0.169  1.0
  F  F41  1  0.693  0.854  0.331  1.0
  F  F42  1  0.693  0.646  0.831  1.0
  F  F43  1  0.307  0.146  0.669  1.0
[/CIF]
.