The material structure described by (ScH8(NF3)2)2N2 is Halite, Rock Salt structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ammonia atoms and two ScH8(NF3)2 clusters. In each ScH8(NF3)2 cluster, Sc(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. N(2) 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(1) is bonded in a single-bond geometry to one N(2) and one F(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Sc(1) atom. In the second F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one H(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_ScH8(NF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.521
_cell_length_c   11.478
_cell_angle_alpha   55.865
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.923
_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
  Sc  Sc0  1  0.500  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.425  0.892  0.163  1.0
  H  H3  1  0.075  0.892  0.663  1.0
  H  H4  1  0.575  0.108  0.837  1.0
  H  H5  1  0.925  0.108  0.337  1.0
  H  H6  1  0.470  0.749  0.337  1.0
  H  H7  1  0.030  0.749  0.837  1.0
  H  H8  1  0.530  0.251  0.663  1.0
  H  H9  1  0.970  0.251  0.163  1.0
  H  H10  1  0.666  0.785  0.229  1.0
  H  H11  1  0.834  0.785  0.729  1.0
  H  H12  1  0.334  0.215  0.771  1.0
  H  H13  1  0.166  0.215  0.271  1.0
  H  H14  1  0.479  0.582  0.265  1.0
  H  H15  1  0.021  0.582  0.765  1.0
  H  H16  1  0.521  0.418  0.735  1.0
  H  H17  1  0.979  0.418  0.235  1.0
  N  N18  1  0.000  0.500  0.500  1.0
  N  N19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.511  0.753  0.249  1.0
  N  N21  1  0.989  0.753  0.749  1.0
  N  N22  1  0.489  0.247  0.751  1.0
  N  N23  1  0.011  0.247  0.251  1.0
  F  F24  1  0.765  0.899  0.453  1.0
  F  F25  1  0.735  0.899  0.953  1.0
  F  F26  1  0.235  0.101  0.547  1.0
  F  F27  1  0.265  0.101  0.047  1.0
  F  F28  1  0.454  0.281  0.294  1.0
  F  F29  1  0.046  0.281  0.794  1.0
  F  F30  1  0.546  0.719  0.706  1.0
  F  F31  1  0.954  0.719  0.206  1.0
  F  F32  1  0.345  0.765  0.467  1.0
  F  F33  1  0.155  0.765  0.967  1.0
  F  F34  1  0.655  0.235  0.533  1.0
  F  F35  1  0.845  0.235  0.033  1.0
[/CIF]
.
The material structure described by (ScH8(NF3)2)2N2 is Halite, Rock Salt structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ammonia atoms and two ScH8(NF3)2 clusters. In each ScH8(NF3)2 cluster, Sc(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. N(2) 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(1) is bonded in a single-bond geometry to one N(2) and one F(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Sc(1) atom. In the second F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one H(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_ScH8(NF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.521
_cell_length_c   11.478
_cell_angle_alpha   55.865
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.923
_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
  Sc  Sc0  1  0.500  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.425  0.892  0.163  1.0
  H  H3  1  0.075  0.892  0.663  1.0
  H  H4  1  0.575  0.108  0.837  1.0
  H  H5  1  0.925  0.108  0.337  1.0
  H  H6  1  0.470  0.749  0.337  1.0
  H  H7  1  0.030  0.749  0.837  1.0
  H  H8  1  0.530  0.251  0.663  1.0
  H  H9  1  0.970  0.251  0.163  1.0
  H  H10  1  0.666  0.785  0.229  1.0
  H  H11  1  0.834  0.785  0.729  1.0
  H  H12  1  0.334  0.215  0.771  1.0
  H  H13  1  0.166  0.215  0.271  1.0
  H  H14  1  0.479  0.582  0.265  1.0
  H  H15  1  0.021  0.582  0.765  1.0
  H  H16  1  0.521  0.418  0.735  1.0
  H  H17  1  0.979  0.418  0.235  1.0
  N  N18  1  0.000  0.500  0.500  1.0
  N  N19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.511  0.753  0.249  1.0
  N  N21  1  0.989  0.753  0.749  1.0
  N  N22  1  0.489  0.247  0.751  1.0
  N  N23  1  0.011  0.247  0.251  1.0
  F  F24  1  0.765  0.899  0.453  1.0
  F  F25  1  0.735  0.899  0.953  1.0
  F  F26  1  0.235  0.101  0.547  1.0
  F  F27  1  0.265  0.101  0.047  1.0
  F  F28  1  0.454  0.281  0.294  1.0
  F  F29  1  0.046  0.281  0.794  1.0
  F  F30  1  0.546  0.719  0.706  1.0
  F  F31  1  0.954  0.719  0.206  1.0
  F  F32  1  0.345  0.765  0.467  1.0
  F  F33  1  0.155  0.765  0.967  1.0
  F  F34  1  0.655  0.235  0.533  1.0
  F  F35  1  0.845  0.235  0.033  1.0
[/CIF]
.