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Summary
Struct.formula Space Group Unit Cell Cell Volume Temperature PDF-numbers Remark V2 O5 P m m n Z(59) 11.512(3) 3.564(1) 4.368(1) 90. 90. 90. 179.21 292 K 01-077-2418 41-1426 A3 Formula Units per Cell Pressure R-value 2 atmospheric 0.02 Warnings & Comments High Quality Data Reference Title of Article Author
Enjalbert, R.; Galy, J.

Collection Code 60767

A refinement of the structure of V2 O5

Acta Crystallographica C (39,1983-) (1986) 42, p1467-p1469 0 Warnings / 0 Comments

Details
Visualization

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Published Crystal Structure

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Powder Pattern of ICSD Coll.Code: 60767

Chemistry
Sum Form Struct.Form. Chemical Name
O5 V2 V2 O5 Vanadium oxide

Number of Formula Units ANX Formula Cryst.Comp. AB Formula Chem.Comp.

2 A2X5 A2B5

Mineral Name Mineral Group

Shcherbinaite

Published Crystal Structure Data

Cell Parameters 11.512(3) 3.564(1) 4.368(1) 90. 90. 90. Volume Space Group Crystal System
179.21 P m m n Z(59) orthorhombic

Formula Units per Cell Pearson Symbol Crystal Class

2 oP14 mmm

Calc. Dens. 3.37 Meas. Dens. 3.32 Laue Class

mmm

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Wyckoff Sequence Axis Ratios Remark EL V O O O EL V O O O Lbl 1 1 2 3 Lbl 1 1 2 3 OxState +5.00 -2.00 -2.00 -2.00 WyckSymb 4f 4f 4f 2a Beta(2,2) [] 0.0043(5) 0.026(3) 0.007(2) 0.012(4) X 0.10118(8) 0.1043(4) -.0689(3) 0.25 Beta(3,3) [] 0.0121(3) 0.013(2) 0.019(2) 0.021(3) Y 0.25 0.25 0.25 0.25 Beta(1,2) [] 0 0 0 0 Structure Type b/c 0.8159

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f3 a

V2O5

a/b 3.2301

c/a 0.3794

Z 0.8917(2) 0.531(1) 0.003(1) 0.001(2) Beta(1,3) [] 0.0006(3) 0.001(1) 0.001(1) 0

TF

SOF

Beta(1,1) [] 0.00088(4) 0.0025(3) 0.0011(2) 0.0010(3)

Beta(2,3) [] 0 0 0 0

Standardized Crystal Structure Data

Cell Parameters Volume Space Group Crystal System Wyckoff Sequence Axis Ratios Transformation Method Transformation Info
3.5640 11.5120 4.3680 90.000 90.000 90.000 179.21 P m m n Z(59) orthorhombic e3 a

Formula Units per Cell Pearson Symbol Crystal Class

2 oP14 mmm

Calc. Dens. 3.37 Laue Class mmm

a/b 0.3096
Tidy TRANS b,a,-c

b/c 2.6355

c/a 1.2256

origin 1/2 1/2 1/2

Remark EL V O O O Lbl 1 1 2 3 OxState +5.00 -2.00 -2.00 -2.00 WyckSymb 4e 4e 4e 2a X 0.2500 0.2500 0.2500 0.2500 Y 0.1012 0.1043 0.5689 0.2500 Z 0.3917 0.0310 0.5030 0.5010 TF SOF

Distances & Angles

Select Pairs of Elements

Atom A Atom B Atom C O O O V V V

Select from Atom Positions Configure Bonds & Angles Calculation

Distance [] Ionic radii [%]

min: 0.7 min: 80.0

max: 3.0 max: 120.0

Bibliography
Title of Article A refinement of the structure of V2 O5

1 st Reference

Acta Crystallographica C (39,1983-) (1986) 42, p1467-p1469

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2 nd Reference

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3 rd Reference

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Experimental Information
External Conditions Temperature
292 K

Pressure

atmospheric

Radiation Type X-ray Sample Type Powder Single Crystal R-Value

0.02

Electrons

Neutrons

Synchrotron

Additional Information Twinned Crystal Data Rietveld Refinement employed Absolute Configuration Determined Properties of Structure Polytype Structure Defect Structure Structure Prototype Order/Disorder Structure Misfit Layer Structure Disordered Structure Mineral Theoretically calculated structures Magnetic Structure Available Anharmonic temperature factors given NMR Data available Correction of Earlier Work

Warnings & Comments

Warnings

Comments

Compare Published & Standardized Structure

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Published Structure
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Standardized Structure
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