The material structure described by Y6N2O5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one N(1), one O(1), one O(2), and three equivalent O(3) atoms to form YNO5 octahedra that share  a cornercorner with one Y(2)N2O4 octahedra, corners with two equivalent Y(3)N3O3 octahedra, corners with three equivalent Y(1)NO5 octahedra, edges with two equivalent Y(1)NO5 octahedra, edges with three equivalent Y(3)N3O3 octahedra, and edges with four equivalent Y(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Y site, Y(2) is bonded to two equivalent N(1), one O(2), one O(3), and two equivalent O(1) atoms to form YN2O4 octahedra that share  a cornercorner with one Y(3)N3O3 octahedra,  a cornercorner with one Y(1)NO5 octahedra, corners with three equivalent Y(2)N2O4 octahedra,  an edgeedge with one Y(2)N2O4 octahedra, edges with four equivalent Y(1)NO5 octahedra, and edges with five equivalent Y(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Y site, Y(3) is bonded to three equivalent N(1), one O(3), and two equivalent O(1) atoms to form YN3O3 octahedra that share  a cornercorner with one Y(2)N2O4 octahedra, corners with two equivalent Y(3)N3O3 octahedra, corners with two equivalent Y(1)NO5 octahedra, edges with three equivalent Y(3)N3O3 octahedra, edges with three equivalent Y(1)NO5 octahedra, and edges with five equivalent Y(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. N(1) is bonded to one Y(1), two equivalent Y(2), and three equivalent Y(3) atoms to form NY6 octahedra that share corners with two equivalent N(1)Y6 octahedra,  a cornercorner with one O(1)Y5 square pyramid, corners with two equivalent O(3)Y5 square pyramids, edges with three equivalent N(1)Y6 octahedra, edges with three equivalent O(3)Y5 square pyramids, and edges with five equivalent O(1)Y5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form OY5 square pyramids that share  a cornercorner with one N(1)Y6 octahedra, corners with two equivalent O(1)Y5 square pyramids, corners with three equivalent O(3)Y5 square pyramids, edges with five equivalent N(1)Y6 octahedra,  an edgeedge with one O(1)Y5 square pyramid, and edges with two equivalent O(3)Y5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the third O site, O(3) is bonded to one Y(2), one Y(3), and three equivalent Y(1) atoms to form OY5 square pyramids that share corners with two equivalent N(1)Y6 octahedra, corners with two equivalent O(3)Y5 square pyramids, corners with three equivalent O(1)Y5 square pyramids, edges with three equivalent N(1)Y6 octahedra, edges with two equivalent O(1)Y5 square pyramids, and edges with two equivalent O(3)Y5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.938
_cell_length_c   7.614
_cell_angle_alpha   82.316
_cell_angle_beta   82.316
_cell_angle_gamma   47.530
_symmetry_Int_Tables_number   1
_cell_volume   195.895
_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
  Y  Y0  1  0.291  0.291  0.139  1.0
  Y  Y1  1  0.566  0.566  0.283  1.0
  Y  Y2  1  0.146  0.146  0.577  1.0
  Y  Y3  1  0.854  0.854  0.423  1.0
  Y  Y4  1  0.709  0.709  0.861  1.0
  Y  Y5  1  0.434  0.434  0.717  1.0
  N  N6  1  0.358  0.358  0.425  1.0
  N  N7  1  0.642  0.642  0.575  1.0
  O  O8  1  0.079  0.079  0.298  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.771  0.771  0.146  1.0
  O  O11  1  0.921  0.921  0.702  1.0
  O  O12  1  0.229  0.229  0.854  1.0
[/CIF]
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The material structure described by Y6N2O5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one N(1), one O(1), one O(2), and three equivalent O(3) atoms to form YNO5 octahedra that share  a cornercorner with one Y(2)N2O4 octahedra, corners with two equivalent Y(3)N3O3 octahedra, corners with three equivalent Y(1)NO5 octahedra, edges with two equivalent Y(1)NO5 octahedra, edges with three equivalent Y(3)N3O3 octahedra, and edges with four equivalent Y(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Y site, Y(2) is bonded to two equivalent N(1), one O(2), one O(3), and two equivalent O(1) atoms to form YN2O4 octahedra that share  a cornercorner with one Y(3)N3O3 octahedra,  a cornercorner with one Y(1)NO5 octahedra, corners with three equivalent Y(2)N2O4 octahedra,  an edgeedge with one Y(2)N2O4 octahedra, edges with four equivalent Y(1)NO5 octahedra, and edges with five equivalent Y(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Y site, Y(3) is bonded to three equivalent N(1), one O(3), and two equivalent O(1) atoms to form YN3O3 octahedra that share  a cornercorner with one Y(2)N2O4 octahedra, corners with two equivalent Y(3)N3O3 octahedra, corners with two equivalent Y(1)NO5 octahedra, edges with three equivalent Y(3)N3O3 octahedra, edges with three equivalent Y(1)NO5 octahedra, and edges with five equivalent Y(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. N(1) is bonded to one Y(1), two equivalent Y(2), and three equivalent Y(3) atoms to form NY6 octahedra that share corners with two equivalent N(1)Y6 octahedra,  a cornercorner with one O(1)Y5 square pyramid, corners with two equivalent O(3)Y5 square pyramids, edges with three equivalent N(1)Y6 octahedra, edges with three equivalent O(3)Y5 square pyramids, and edges with five equivalent O(1)Y5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form OY5 square pyramids that share  a cornercorner with one N(1)Y6 octahedra, corners with two equivalent O(1)Y5 square pyramids, corners with three equivalent O(3)Y5 square pyramids, edges with five equivalent N(1)Y6 octahedra,  an edgeedge with one O(1)Y5 square pyramid, and edges with two equivalent O(3)Y5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the third O site, O(3) is bonded to one Y(2), one Y(3), and three equivalent Y(1) atoms to form OY5 square pyramids that share corners with two equivalent N(1)Y6 octahedra, corners with two equivalent O(3)Y5 square pyramids, corners with three equivalent O(1)Y5 square pyramids, edges with three equivalent N(1)Y6 octahedra, edges with two equivalent O(1)Y5 square pyramids, and edges with two equivalent O(3)Y5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.938
_cell_length_c   7.614
_cell_angle_alpha   82.316
_cell_angle_beta   82.316
_cell_angle_gamma   47.530
_symmetry_Int_Tables_number   1
_cell_volume   195.895
_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
  Y  Y0  1  0.291  0.291  0.139  1.0
  Y  Y1  1  0.566  0.566  0.283  1.0
  Y  Y2  1  0.146  0.146  0.577  1.0
  Y  Y3  1  0.854  0.854  0.423  1.0
  Y  Y4  1  0.709  0.709  0.861  1.0
  Y  Y5  1  0.434  0.434  0.717  1.0
  N  N6  1  0.358  0.358  0.425  1.0
  N  N7  1  0.642  0.642  0.575  1.0
  O  O8  1  0.079  0.079  0.298  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.771  0.771  0.146  1.0
  O  O11  1  0.921  0.921  0.702  1.0
  O  O12  1  0.229  0.229  0.854  1.0
[/CIF]
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