The crystal structure described by (Sc3(N2F7)2)2N2 crystallizes in the tetragonal P4/mnc space group. The structure consists of two ammonia atoms inside a Sc3(N2F7)2 framework. In the Sc3(N2F7)2 framework, there are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the second Sc site, Sc(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 28°. N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one Sc(2) 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 120 degrees geometry to one Sc(2) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3N5F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.956
_cell_length_b   7.956
_cell_length_c   11.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.037
_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  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  Sc  Sc2  1  0.000  0.500  0.000  1.0
  Sc  Sc3  1  0.500  0.000  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.500  1.0
  Sc  Sc5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.500  0.500  0.000  1.0
  N  N8  1  0.326  0.826  0.250  1.0
  N  N9  1  0.674  0.174  0.750  1.0
  N  N10  1  0.674  0.174  0.250  1.0
  N  N11  1  0.174  0.326  0.250  1.0
  N  N12  1  0.326  0.826  0.750  1.0
  N  N13  1  0.826  0.674  0.750  1.0
  N  N14  1  0.826  0.674  0.250  1.0
  N  N15  1  0.174  0.326  0.750  1.0
  F  F16  1  0.259  0.061  0.000  1.0
  F  F17  1  0.741  0.939  0.000  1.0
  F  F18  1  0.939  0.259  0.000  1.0
  F  F19  1  0.241  0.561  0.500  1.0
  F  F20  1  0.061  0.741  0.000  1.0
  F  F21  1  0.759  0.439  0.500  1.0
  F  F22  1  0.561  0.759  0.500  1.0
  F  F23  1  0.439  0.241  0.500  1.0
  F  F24  1  0.000  0.000  0.172  1.0
  F  F25  1  0.000  0.000  0.828  1.0
  F  F26  1  0.500  0.500  0.328  1.0
  F  F27  1  0.500  0.500  0.672  1.0
  F  F28  1  0.049  0.316  0.371  1.0
  F  F29  1  0.951  0.684  0.629  1.0
  F  F30  1  0.951  0.684  0.371  1.0
  F  F31  1  0.684  0.049  0.371  1.0
  F  F32  1  0.451  0.816  0.129  1.0
  F  F33  1  0.049  0.316  0.629  1.0
  F  F34  1  0.316  0.951  0.629  1.0
  F  F35  1  0.549  0.184  0.871  1.0
  F  F36  1  0.316  0.951  0.371  1.0
  F  F37  1  0.549  0.184  0.129  1.0
  F  F38  1  0.684  0.049  0.629  1.0
  F  F39  1  0.451  0.816  0.871  1.0
  F  F40  1  0.816  0.549  0.129  1.0
  F  F41  1  0.184  0.451  0.871  1.0
  F  F42  1  0.184  0.451  0.129  1.0
  F  F43  1  0.816  0.549  0.871  1.0
[/CIF]
.
The crystal structure described by (Sc3(N2F7)2)2N2 crystallizes in the tetragonal P4/mnc space group. The structure consists of two ammonia atoms inside a Sc3(N2F7)2 framework. In the Sc3(N2F7)2 framework, there are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the second Sc site, Sc(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 28°. N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one Sc(2) 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 120 degrees geometry to one Sc(2) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3N5F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.956
_cell_length_b   7.956
_cell_length_c   11.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.037
_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  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  Sc  Sc2  1  0.000  0.500  0.000  1.0
  Sc  Sc3  1  0.500  0.000  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.500  1.0
  Sc  Sc5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.500  0.500  0.000  1.0
  N  N8  1  0.326  0.826  0.250  1.0
  N  N9  1  0.674  0.174  0.750  1.0
  N  N10  1  0.674  0.174  0.250  1.0
  N  N11  1  0.174  0.326  0.250  1.0
  N  N12  1  0.326  0.826  0.750  1.0
  N  N13  1  0.826  0.674  0.750  1.0
  N  N14  1  0.826  0.674  0.250  1.0
  N  N15  1  0.174  0.326  0.750  1.0
  F  F16  1  0.259  0.061  0.000  1.0
  F  F17  1  0.741  0.939  0.000  1.0
  F  F18  1  0.939  0.259  0.000  1.0
  F  F19  1  0.241  0.561  0.500  1.0
  F  F20  1  0.061  0.741  0.000  1.0
  F  F21  1  0.759  0.439  0.500  1.0
  F  F22  1  0.561  0.759  0.500  1.0
  F  F23  1  0.439  0.241  0.500  1.0
  F  F24  1  0.000  0.000  0.172  1.0
  F  F25  1  0.000  0.000  0.828  1.0
  F  F26  1  0.500  0.500  0.328  1.0
  F  F27  1  0.500  0.500  0.672  1.0
  F  F28  1  0.049  0.316  0.371  1.0
  F  F29  1  0.951  0.684  0.629  1.0
  F  F30  1  0.951  0.684  0.371  1.0
  F  F31  1  0.684  0.049  0.371  1.0
  F  F32  1  0.451  0.816  0.129  1.0
  F  F33  1  0.049  0.316  0.629  1.0
  F  F34  1  0.316  0.951  0.629  1.0
  F  F35  1  0.549  0.184  0.871  1.0
  F  F36  1  0.316  0.951  0.371  1.0
  F  F37  1  0.549  0.184  0.129  1.0
  F  F38  1  0.684  0.049  0.629  1.0
  F  F39  1  0.451  0.816  0.871  1.0
  F  F40  1  0.816  0.549  0.129  1.0
  F  F41  1  0.184  0.451  0.871  1.0
  F  F42  1  0.184  0.451  0.129  1.0
  F  F43  1  0.816  0.549  0.871  1.0
[/CIF]
.