The material described by Sc6N2O5 crystallizes in the triclinic P1 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Sc site, Sc(2) is bonded to one N(1), one N(2), one O(1), one O(2), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Sc site, Sc(3) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Sc site, Sc(4) is bonded to one N(1), one N(2), one O(2), one O(3), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Sc site, Sc(5) is bonded to one N(1), one N(2), one O(1), one O(3), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth Sc site, Sc(6) is bonded to one N(2), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing ScNO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), and one Sc(5) atom to form NSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid, and edges with two equivalent O(5)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second N site, N(2) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form NSc6 octahedra that share  a cornercorner with one N(1)Sc5 square pyramid,  a cornercorner with one O(1)Sc5 square pyramid,  a cornercorner with one O(2)Sc5 square pyramid,  a cornercorner with one O(3)Sc5 square pyramid,  a cornercorner with one O(4)Sc5 square pyramid,  a cornercorner with one O(5)Sc5 square pyramid, edges with two equivalent N(1)Sc5 square pyramids, edges with two equivalent O(1)Sc5 square pyramids, edges with two equivalent O(2)Sc5 square pyramids, edges with two equivalent O(3)Sc5 square pyramids, edges with two equivalent O(4)Sc5 square pyramids, and edges with two equivalent O(5)Sc5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(4)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(3)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to one Sc(1), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(2)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(1)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid, and edges with two equivalent N(1)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sc6N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.470
_cell_length_c   5.473
_cell_angle_alpha   99.799
_cell_angle_beta   99.841
_cell_angle_gamma   99.693
_symmetry_Int_Tables_number   1
_cell_volume   155.535
_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  0.154  0.574  0.276  1.0
  Sc  Sc1  1  0.718  0.852  0.432  1.0
  Sc  Sc2  1  0.434  0.726  0.860  1.0
  Sc  Sc3  1  0.563  0.271  0.149  1.0
  Sc  Sc4  1  0.278  0.142  0.556  1.0
  Sc  Sc5  1  0.852  0.436  0.723  1.0
  N  N6  1  0.375  0.922  0.224  1.0
  N  N7  1  0.502  0.499  0.501  1.0
  O  O8  1  0.076  0.772  0.624  1.0
  O  O9  1  0.776  0.622  0.076  1.0
  O  O10  1  0.222  0.377  0.921  1.0
  O  O11  1  0.922  0.226  0.381  1.0
  O  O12  1  0.626  0.080  0.778  1.0
[/CIF]
.
The material described by Sc6N2O5 crystallizes in the triclinic P1 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Sc site, Sc(2) is bonded to one N(1), one N(2), one O(1), one O(2), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Sc site, Sc(3) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Sc site, Sc(4) is bonded to one N(1), one N(2), one O(2), one O(3), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(5)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(5)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Sc site, Sc(5) is bonded to one N(1), one N(2), one O(1), one O(3), one O(4), and one O(5) atom to form ScN2O4 octahedra that share  a cornercorner with one Sc(1)N2O4 octahedra,  a cornercorner with one Sc(2)N2O4 octahedra,  a cornercorner with one Sc(3)N2O4 octahedra,  a cornercorner with one Sc(4)N2O4 octahedra,  a cornercorner with one Sc(6)NO5 octahedra, edges with two equivalent Sc(1)N2O4 octahedra, edges with two equivalent Sc(2)N2O4 octahedra, edges with two equivalent Sc(3)N2O4 octahedra, edges with two equivalent Sc(4)N2O4 octahedra, and edges with two equivalent Sc(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth Sc site, Sc(6) is bonded to one N(2), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing ScNO5 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), and one Sc(5) atom to form NSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid, and edges with two equivalent O(5)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second N site, N(2) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form NSc6 octahedra that share  a cornercorner with one N(1)Sc5 square pyramid,  a cornercorner with one O(1)Sc5 square pyramid,  a cornercorner with one O(2)Sc5 square pyramid,  a cornercorner with one O(3)Sc5 square pyramid,  a cornercorner with one O(4)Sc5 square pyramid,  a cornercorner with one O(5)Sc5 square pyramid, edges with two equivalent N(1)Sc5 square pyramids, edges with two equivalent O(1)Sc5 square pyramids, edges with two equivalent O(2)Sc5 square pyramids, edges with two equivalent O(3)Sc5 square pyramids, edges with two equivalent O(4)Sc5 square pyramids, and edges with two equivalent O(5)Sc5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(4)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one Sc(3), one Sc(4), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(3)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to one Sc(1), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(2)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent N(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(5)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one N(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(5)Sc5 square pyramid, and edges with two equivalent O(1)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom to form OSc5 square pyramids that share  a cornercorner with one N(2)Sc6 octahedra, corners with two equivalent O(1)Sc5 square pyramids, corners with two equivalent O(2)Sc5 square pyramids, corners with two equivalent O(3)Sc5 square pyramids, corners with two equivalent O(4)Sc5 square pyramids, edges with two equivalent N(2)Sc6 octahedra,  an edgeedge with one O(1)Sc5 square pyramid,  an edgeedge with one O(2)Sc5 square pyramid,  an edgeedge with one O(3)Sc5 square pyramid,  an edgeedge with one O(4)Sc5 square pyramid, and edges with two equivalent N(1)Sc5 square pyramids. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sc6N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.470
_cell_length_c   5.473
_cell_angle_alpha   99.799
_cell_angle_beta   99.841
_cell_angle_gamma   99.693
_symmetry_Int_Tables_number   1
_cell_volume   155.535
_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  0.154  0.574  0.276  1.0
  Sc  Sc1  1  0.718  0.852  0.432  1.0
  Sc  Sc2  1  0.434  0.726  0.860  1.0
  Sc  Sc3  1  0.563  0.271  0.149  1.0
  Sc  Sc4  1  0.278  0.142  0.556  1.0
  Sc  Sc5  1  0.852  0.436  0.723  1.0
  N  N6  1  0.375  0.922  0.224  1.0
  N  N7  1  0.502  0.499  0.501  1.0
  O  O8  1  0.076  0.772  0.624  1.0
  O  O9  1  0.776  0.622  0.076  1.0
  O  O10  1  0.222  0.377  0.921  1.0
  O  O11  1  0.922  0.226  0.381  1.0
  O  O12  1  0.626  0.080  0.778  1.0
[/CIF]
.