The crystal structure described by ScP2NO8 crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ScO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 trigonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-35°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 trigonal pyramids that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. N(1) is bonded in a water-like geometry to one O(4) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the second O site, O(6) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one N(1) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one N(1) atom. is represented by the CIF card [CIF]
data_ScP2NO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   8.370
_cell_length_c   17.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.906
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   788.305
_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
  Sc  Sc0  1  0.275  0.473  0.640  1.0
  Sc  Sc1  1  0.725  0.973  0.860  1.0
  Sc  Sc2  1  0.725  0.527  0.360  1.0
  Sc  Sc3  1  0.275  0.027  0.140  1.0
  P  P4  1  0.758  0.663  0.554  1.0
  P  P5  1  0.242  0.163  0.946  1.0
  P  P6  1  0.242  0.337  0.446  1.0
  P  P7  1  0.758  0.837  0.054  1.0
  P  P8  1  0.212  0.725  0.806  1.0
  P  P9  1  0.788  0.225  0.694  1.0
  P  P10  1  0.788  0.275  0.194  1.0
  P  P11  1  0.212  0.775  0.306  1.0
  N  N12  1  0.779  0.950  0.616  1.0
  N  N13  1  0.221  0.450  0.884  1.0
  N  N14  1  0.221  0.050  0.384  1.0
  N  N15  1  0.779  0.550  0.116  1.0
  O  O16  1  0.995  0.617  0.593  1.0
  O  O17  1  0.005  0.117  0.907  1.0
  O  O18  1  0.005  0.383  0.407  1.0
  O  O19  1  0.995  0.883  0.093  1.0
  O  O20  1  0.734  0.640  0.468  1.0
  O  O21  1  0.266  0.140  0.032  1.0
  O  O22  1  0.266  0.360  0.532  1.0
  O  O23  1  0.734  0.860  0.968  1.0
  O  O24  1  0.529  0.640  0.600  1.0
  O  O25  1  0.471  0.140  0.900  1.0
  O  O26  1  0.471  0.360  0.400  1.0
  O  O27  1  0.529  0.860  0.100  1.0
  O  O28  1  0.218  0.380  0.950  1.0
  O  O29  1  0.782  0.880  0.550  1.0
  O  O30  1  0.782  0.620  0.050  1.0
  O  O31  1  0.218  0.120  0.450  1.0
  O  O32  1  0.245  0.603  0.743  1.0
  O  O33  1  0.755  0.103  0.757  1.0
  O  O34  1  0.755  0.397  0.257  1.0
  O  O35  1  0.245  0.897  0.243  1.0
  O  O36  1  0.429  0.828  0.825  1.0
  O  O37  1  0.571  0.328  0.675  1.0
  O  O38  1  0.571  0.172  0.175  1.0
  O  O39  1  0.429  0.672  0.325  1.0
  O  O40  1  0.963  0.798  0.814  1.0
  O  O41  1  0.037  0.298  0.686  1.0
  O  O42  1  0.037  0.202  0.186  1.0
  O  O43  1  0.963  0.702  0.314  1.0
  O  O44  1  0.211  0.600  0.894  1.0
  O  O45  1  0.789  0.100  0.606  1.0
  O  O46  1  0.789  0.400  0.106  1.0
  O  O47  1  0.211  0.900  0.394  1.0
[/CIF]
.
The crystal structure described by ScP2NO8 crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ScO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 trigonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-35°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 trigonal pyramids that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. N(1) is bonded in a water-like geometry to one O(4) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the second O site, O(6) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one N(1) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one N(1) atom. is represented by the CIF card [CIF]
data_ScP2NO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   8.370
_cell_length_c   17.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.906
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   788.305
_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
  Sc  Sc0  1  0.275  0.473  0.640  1.0
  Sc  Sc1  1  0.725  0.973  0.860  1.0
  Sc  Sc2  1  0.725  0.527  0.360  1.0
  Sc  Sc3  1  0.275  0.027  0.140  1.0
  P  P4  1  0.758  0.663  0.554  1.0
  P  P5  1  0.242  0.163  0.946  1.0
  P  P6  1  0.242  0.337  0.446  1.0
  P  P7  1  0.758  0.837  0.054  1.0
  P  P8  1  0.212  0.725  0.806  1.0
  P  P9  1  0.788  0.225  0.694  1.0
  P  P10  1  0.788  0.275  0.194  1.0
  P  P11  1  0.212  0.775  0.306  1.0
  N  N12  1  0.779  0.950  0.616  1.0
  N  N13  1  0.221  0.450  0.884  1.0
  N  N14  1  0.221  0.050  0.384  1.0
  N  N15  1  0.779  0.550  0.116  1.0
  O  O16  1  0.995  0.617  0.593  1.0
  O  O17  1  0.005  0.117  0.907  1.0
  O  O18  1  0.005  0.383  0.407  1.0
  O  O19  1  0.995  0.883  0.093  1.0
  O  O20  1  0.734  0.640  0.468  1.0
  O  O21  1  0.266  0.140  0.032  1.0
  O  O22  1  0.266  0.360  0.532  1.0
  O  O23  1  0.734  0.860  0.968  1.0
  O  O24  1  0.529  0.640  0.600  1.0
  O  O25  1  0.471  0.140  0.900  1.0
  O  O26  1  0.471  0.360  0.400  1.0
  O  O27  1  0.529  0.860  0.100  1.0
  O  O28  1  0.218  0.380  0.950  1.0
  O  O29  1  0.782  0.880  0.550  1.0
  O  O30  1  0.782  0.620  0.050  1.0
  O  O31  1  0.218  0.120  0.450  1.0
  O  O32  1  0.245  0.603  0.743  1.0
  O  O33  1  0.755  0.103  0.757  1.0
  O  O34  1  0.755  0.397  0.257  1.0
  O  O35  1  0.245  0.897  0.243  1.0
  O  O36  1  0.429  0.828  0.825  1.0
  O  O37  1  0.571  0.328  0.675  1.0
  O  O38  1  0.571  0.172  0.175  1.0
  O  O39  1  0.429  0.672  0.325  1.0
  O  O40  1  0.963  0.798  0.814  1.0
  O  O41  1  0.037  0.298  0.686  1.0
  O  O42  1  0.037  0.202  0.186  1.0
  O  O43  1  0.963  0.702  0.314  1.0
  O  O44  1  0.211  0.600  0.894  1.0
  O  O45  1  0.789  0.100  0.606  1.0
  O  O46  1  0.789  0.400  0.106  1.0
  O  O47  1  0.211  0.900  0.394  1.0
[/CIF]
.