The material described by (ScNF3)2N2(NF)2(F2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia atom, two hydrofluoric acid atoms, one monofluoroamine molecule, and one ScNF3 cluster. In the ScNF3 cluster, Sc(1) is bonded in a distorted single-bond geometry to one N(3), one F(2), one F(3), and one F(6) atom. N(3) is bonded in a single-bond geometry to one Sc(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one Sc(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_Sc(NF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   6.533
_cell_length_c   6.535
_cell_angle_alpha   110.608
_cell_angle_beta   105.839
_cell_angle_gamma   110.321
_symmetry_Int_Tables_number   1
_cell_volume   217.321
_cell_formula_units_Z   1
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  0.878  0.995  0.136  1.0
  N  N1  1  0.951  0.527  0.503  1.0
  N  N2  1  0.488  0.263  0.259  1.0
  N  N3  1  0.483  0.758  0.775  1.0
  F  F4  1  0.691  0.376  0.623  1.0
  F  F5  1  0.951  0.214  0.260  1.0
  F  F6  1  0.999  0.739  0.263  1.0
  F  F7  1  0.978  0.655  0.629  1.0
  F  F8  1  0.053  0.177  0.793  1.0
  F  F9  1  0.527  0.796  0.258  1.0
[/CIF]
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The material described by (ScNF3)2N2(NF)2(F2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia atom, two hydrofluoric acid atoms, one monofluoroamine molecule, and one ScNF3 cluster. In the ScNF3 cluster, Sc(1) is bonded in a distorted single-bond geometry to one N(3), one F(2), one F(3), and one F(6) atom. N(3) is bonded in a single-bond geometry to one Sc(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one Sc(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the CIF card [CIF]
data_Sc(NF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   6.533
_cell_length_c   6.535
_cell_angle_alpha   110.608
_cell_angle_beta   105.839
_cell_angle_gamma   110.321
_symmetry_Int_Tables_number   1
_cell_volume   217.321
_cell_formula_units_Z   1
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  0.878  0.995  0.136  1.0
  N  N1  1  0.951  0.527  0.503  1.0
  N  N2  1  0.488  0.263  0.259  1.0
  N  N3  1  0.483  0.758  0.775  1.0
  F  F4  1  0.691  0.376  0.623  1.0
  F  F5  1  0.951  0.214  0.260  1.0
  F  F6  1  0.999  0.739  0.263  1.0
  F  F7  1  0.978  0.655  0.629  1.0
  F  F8  1  0.053  0.177  0.793  1.0
  F  F9  1  0.527  0.796  0.258  1.0
[/CIF]
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