The material structure described by YV3O9 crystallizes in the monoclinic Pc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(16), one O(18), and one O(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(4), and one O(5) atom. In the third V site, V(3) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(7), and one O(8) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(17), one O(7), and one O(9) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Y(1), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Y(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Y(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(1) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Y(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Y(1) and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Y(2), one V(2), and one V(5) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one V(3) and one V(6) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Y(2) and one V(1) atom. is represented by the CIF file [CIF]
data_YV3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   8.163
_cell_length_c   15.657
_cell_angle_alpha   89.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   656.605
_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
  Y  Y0  1  0.757  0.758  0.161  1.0
  Y  Y1  1  0.257  0.241  0.336  1.0
  Y  Y2  1  0.743  0.241  0.836  1.0
  Y  Y3  1  0.243  0.758  0.661  1.0
  V  V4  1  0.244  0.485  0.838  1.0
  V  V5  1  0.235  0.460  0.502  1.0
  V  V6  1  0.256  0.518  0.163  1.0
  V  V7  1  0.765  0.460  0.002  1.0
  V  V8  1  0.744  0.518  0.663  1.0
  V  V9  1  0.756  0.485  0.338  1.0
  V  V10  1  0.280  0.953  0.837  1.0
  V  V11  1  0.250  0.964  0.494  1.0
  V  V12  1  0.234  0.052  0.159  1.0
  V  V13  1  0.750  0.964  0.994  1.0
  V  V14  1  0.766  0.052  0.659  1.0
  V  V15  1  0.720  0.953  0.337  1.0
  O  O16  1  0.529  0.462  0.916  1.0
  O  O17  1  0.511  0.468  0.585  1.0
  O  O18  1  0.420  0.451  0.258  1.0
  O  O19  1  0.013  0.533  0.915  1.0
  O  O20  1  0.031  0.550  0.584  1.0
  O  O21  1  0.920  0.553  0.242  1.0
  O  O22  1  0.080  0.553  0.742  1.0
  O  O23  1  0.987  0.533  0.415  1.0
  O  O24  1  0.969  0.550  0.084  1.0
  O  O25  1  0.580  0.451  0.758  1.0
  O  O26  1  0.471  0.462  0.416  1.0
  O  O27  1  0.489  0.468  0.085  1.0
  O  O28  1  0.076  0.965  0.745  1.0
  O  O29  1  0.993  0.967  0.413  1.0
  O  O30  1  0.977  0.958  0.086  1.0
  O  O31  1  0.576  0.034  0.759  1.0
  O  O32  1  0.486  0.054  0.418  1.0
  O  O33  1  0.487  0.035  0.088  1.0
  O  O34  1  0.514  0.054  0.918  1.0
  O  O35  1  0.513  0.035  0.588  1.0
  O  O36  1  0.424  0.034  0.259  1.0
  O  O37  1  0.007  0.967  0.913  1.0
  O  O38  1  0.023  0.958  0.586  1.0
  O  O39  1  0.924  0.965  0.245  1.0
  O  O40  1  0.363  0.756  0.832  1.0
  O  O41  1  0.344  0.769  0.505  1.0
  O  O42  1  0.314  0.727  0.170  1.0
  O  O43  1  0.847  0.262  0.993  1.0
  O  O44  1  0.856  0.250  0.669  1.0
  O  O45  1  0.815  0.276  0.332  1.0
  O  O46  1  0.185  0.276  0.832  1.0
  O  O47  1  0.153  0.262  0.493  1.0
  O  O48  1  0.144  0.250  0.169  1.0
  O  O49  1  0.686  0.727  0.670  1.0
  O  O50  1  0.637  0.756  0.332  1.0
  O  O51  1  0.656  0.769  0.005  1.0
[/CIF]
.
The material structure described by YV3O9 crystallizes in the monoclinic Pc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(16), one O(18), and one O(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(4), and one O(5) atom. In the third V site, V(3) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(7), and one O(8) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(17), one O(7), and one O(9) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Y(1), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Y(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Y(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(1) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Y(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Y(1) and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Y(2), one V(2), and one V(5) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one V(3) and one V(6) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Y(2) and one V(1) atom. is represented by the CIF file [CIF]
data_YV3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   8.163
_cell_length_c   15.657
_cell_angle_alpha   89.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   656.605
_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
  Y  Y0  1  0.757  0.758  0.161  1.0
  Y  Y1  1  0.257  0.241  0.336  1.0
  Y  Y2  1  0.743  0.241  0.836  1.0
  Y  Y3  1  0.243  0.758  0.661  1.0
  V  V4  1  0.244  0.485  0.838  1.0
  V  V5  1  0.235  0.460  0.502  1.0
  V  V6  1  0.256  0.518  0.163  1.0
  V  V7  1  0.765  0.460  0.002  1.0
  V  V8  1  0.744  0.518  0.663  1.0
  V  V9  1  0.756  0.485  0.338  1.0
  V  V10  1  0.280  0.953  0.837  1.0
  V  V11  1  0.250  0.964  0.494  1.0
  V  V12  1  0.234  0.052  0.159  1.0
  V  V13  1  0.750  0.964  0.994  1.0
  V  V14  1  0.766  0.052  0.659  1.0
  V  V15  1  0.720  0.953  0.337  1.0
  O  O16  1  0.529  0.462  0.916  1.0
  O  O17  1  0.511  0.468  0.585  1.0
  O  O18  1  0.420  0.451  0.258  1.0
  O  O19  1  0.013  0.533  0.915  1.0
  O  O20  1  0.031  0.550  0.584  1.0
  O  O21  1  0.920  0.553  0.242  1.0
  O  O22  1  0.080  0.553  0.742  1.0
  O  O23  1  0.987  0.533  0.415  1.0
  O  O24  1  0.969  0.550  0.084  1.0
  O  O25  1  0.580  0.451  0.758  1.0
  O  O26  1  0.471  0.462  0.416  1.0
  O  O27  1  0.489  0.468  0.085  1.0
  O  O28  1  0.076  0.965  0.745  1.0
  O  O29  1  0.993  0.967  0.413  1.0
  O  O30  1  0.977  0.958  0.086  1.0
  O  O31  1  0.576  0.034  0.759  1.0
  O  O32  1  0.486  0.054  0.418  1.0
  O  O33  1  0.487  0.035  0.088  1.0
  O  O34  1  0.514  0.054  0.918  1.0
  O  O35  1  0.513  0.035  0.588  1.0
  O  O36  1  0.424  0.034  0.259  1.0
  O  O37  1  0.007  0.967  0.913  1.0
  O  O38  1  0.023  0.958  0.586  1.0
  O  O39  1  0.924  0.965  0.245  1.0
  O  O40  1  0.363  0.756  0.832  1.0
  O  O41  1  0.344  0.769  0.505  1.0
  O  O42  1  0.314  0.727  0.170  1.0
  O  O43  1  0.847  0.262  0.993  1.0
  O  O44  1  0.856  0.250  0.669  1.0
  O  O45  1  0.815  0.276  0.332  1.0
  O  O46  1  0.185  0.276  0.832  1.0
  O  O47  1  0.153  0.262  0.493  1.0
  O  O48  1  0.144  0.250  0.169  1.0
  O  O49  1  0.686  0.727  0.670  1.0
  O  O50  1  0.637  0.756  0.332  1.0
  O  O51  1  0.656  0.769  0.005  1.0
[/CIF]
.