The crystal structure described by ScNF6N2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ammonia atoms and one ScNF6 cluster. In the ScNF6 cluster, Sc(1) is bonded in a tetrahedral geometry to one F(2), one F(3), one F(5), and one F(6) atom. N(1) is bonded in a distorted trigonal non-coplanar geometry to one F(3) and two equivalent F(1,4) atoms. There are five inequivalent F sites. In the first F site, F(1,4) is bonded in a single-bond geometry to one N(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one N(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Sc(1) atom. In the fifth F site, F(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the Crystallographic Information File (CIF) [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   7.438
_cell_angle_alpha   55.318
_cell_angle_beta   56.990
_cell_angle_gamma   69.679
_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  0.013  0.005  0.864  1.0
  N  N1  1  0.455  0.473  0.497  1.0
  N  N2  1  0.747  0.737  0.741  1.0
  N  N3  1  0.258  0.242  0.225  1.0
  F  F4  1  0.314  0.624  0.377  1.0
  F  F5  1  0.211  0.786  0.740  1.0
  F  F6  1  0.262  0.261  0.737  1.0
  F  F7  1  0.608  0.345  0.371  1.0
  F  F8  1  0.846  0.823  0.207  1.0
  F  F9  1  0.785  0.204  0.742  1.0
[/CIF]
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The crystal structure described by ScNF6N2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ammonia atoms and one ScNF6 cluster. In the ScNF6 cluster, Sc(1) is bonded in a tetrahedral geometry to one F(2), one F(3), one F(5), and one F(6) atom. N(1) is bonded in a distorted trigonal non-coplanar geometry to one F(3) and two equivalent F(1,4) atoms. There are five inequivalent F sites. In the first F site, F(1,4) is bonded in a single-bond geometry to one N(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one N(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Sc(1) atom. In the fifth F site, F(6) is bonded in a single-bond geometry to one Sc(1) atom. is represented by the Crystallographic Information File (CIF) [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   7.438
_cell_angle_alpha   55.318
_cell_angle_beta   56.990
_cell_angle_gamma   69.679
_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  0.013  0.005  0.864  1.0
  N  N1  1  0.455  0.473  0.497  1.0
  N  N2  1  0.747  0.737  0.741  1.0
  N  N3  1  0.258  0.242  0.225  1.0
  F  F4  1  0.314  0.624  0.377  1.0
  F  F5  1  0.211  0.786  0.740  1.0
  F  F6  1  0.262  0.261  0.737  1.0
  F  F7  1  0.608  0.345  0.371  1.0
  F  F8  1  0.846  0.823  0.207  1.0
  F  F9  1  0.785  0.204  0.742  1.0
[/CIF]
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