A model for the structure of the hydrated aluminum phosphate, kingite determined by ab initio powder diffraction methods

Kia S. Wallwork; Allan Pring; Max R. Taylor; Brett A. Hunter

doi:10.2138/am-2003-0127

A model for the structure of the hydrated aluminum phosphate, kingite determined by ab initio powder diffraction methods

American Mineralogist ◽

10.2138/am-2003-0127 ◽

2003 ◽

Vol 88 (1) ◽

pp. 235-239 ◽

Cited By ~ 4

Author(s):

Kia S. Wallwork ◽

Allan Pring ◽

Max R. Taylor ◽

Brett A. Hunter

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Aluminum Phosphate ◽

Hydrated Aluminum

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Ab initio structure determination of rofecoxib from powder diffraction data using molecular packing analysis method and direct space method

International Journal of Pharmaceutics ◽

10.1016/s0378-5173(02)00640-3 ◽

2003 ◽

Vol 252 (1-2) ◽

pp. 213-223 ◽

Cited By ~ 4

Author(s):

Y Kiang

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Powder Diffraction Data ◽

Analysis Method ◽

Ab Initio Structure ◽

Packing Analysis ◽

Space Method

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Supramolecular Architecture in an Oxovanadium(V)-Schiff Base Complex: Synthesis, Ab initio Structure Determination from X-ray Powder Diffraction, DNA Binding and Cleavage Activity

Crystal Growth & Design ◽

10.1021/cg060753i ◽

2007 ◽

Vol 7 (9) ◽

pp. 1716-1721 ◽

Cited By ~ 32

Author(s):

Swastik Mondal ◽

Monika Mukherjee ◽

Koushik Dhara ◽

Soumen Ghosh ◽

Jagnyeswar Ratha ◽

...

Keyword(s):

Schiff Base ◽

Ab Initio ◽

Powder Diffraction ◽

Structure Determination ◽

Schiff Base Complex ◽

Supramolecular Architecture ◽

X Ray ◽

Cleavage Activity ◽

Ab Initio Structure ◽

Dna Binding And Cleavage

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The ab initio structure determination of [(CH3)4N]2Ge4MnS10 from X-ray powder diffraction data

Journal of Alloys and Compounds ◽

10.1016/0925-8388(94)05021-x ◽

1995 ◽

Vol 219 (1-2) ◽

pp. 111-115 ◽

Cited By ~ 14

Author(s):

O. Achak ◽

J.Y. Pivan ◽

M. Maunaye ◽

M. Louër ◽

D. Louër

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Powder Diffraction Data ◽

X Ray ◽

Ab Initio Structure

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The Ab initio crystal structure determination of CuPt3O6 from a combination of synchrotron X-ray and neutron powder diffraction data

Journal of Physics and Chemistry of Solids ◽

10.1016/0022-3697(91)90203-c ◽

1991 ◽

Vol 52 (10) ◽

pp. 1273-1279 ◽

Cited By ~ 5

Author(s):

J.A. Hriljac ◽

J.B. Parise ◽

G.H. Kwei ◽

K.B. Schwartz

Keyword(s):

Crystal Structure ◽

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Neutron Powder Diffraction ◽

Powder Diffraction Data ◽

X Ray ◽

Neutron Powder Diffraction Data

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Hydration/Dehydration Phase Transition Mechanism in Organic Crystals Investigated by Ab Initio Crystal Structure Determination from Powder Diffraction Data

Advances in Organic Crystal Chemistry ◽

10.1007/978-4-431-55555-1_15 ◽

2015 ◽

pp. 299-316

Author(s):

Kotaro Fujii ◽

Hidehiro Uekusa

Keyword(s):

Crystal Structure ◽

Phase Transition ◽

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Crystal Structure Determination ◽

Organic Crystals ◽

Powder Diffraction Data ◽

Transition Mechanism

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Ab Initio Structure Determination from X-ray Powder Diffraction Data of Tetraaquabismuth(III) Triflate Obtained from the Nonahydrate

Chemistry of Materials ◽

10.1021/cm970361m ◽

1997 ◽

Vol 9 (12) ◽

pp. 3012-3016 ◽

Cited By ~ 20

Author(s):

Michèle Louër ◽

Christophe Le Roux ◽

Jacques Dubac

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Powder Diffraction Data ◽

X Ray ◽

Ab Initio Structure

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The layer structure of Zr(OH)3NO3 determined ab initio using conventional monochromatic X-Ray powder diffraction

Journal of Physics and Chemistry of Solids ◽

10.1016/0022-3697(95)00068-2 ◽

1995 ◽

Vol 56 (10) ◽

pp. 1345-1352 ◽

Cited By ~ 5

Author(s):

Patricia Bénard ◽

Daniel Louër

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Layer Structure ◽

X Ray

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Ab initio crystal structure determination of Bi6Rh12O29 from powder diffraction data

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.2006.221.3.206 ◽

2006 ◽

Vol 221 (3) ◽

Cited By ~ 3

Author(s):

Frank Stowasser ◽

Christof Renkenberger

Keyword(s):

Crystal Structure ◽

Ab Initio ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Crystal Structure Determination ◽

Powder Diffraction Data ◽

Complex Crystal Structure ◽

Complex Crystal

AbstractThe complex crystal structure of Bi

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Ab initio structure determinations of two lanthanum palladium oxides by modelling and powder diffraction methods

Acta Crystallographica Section B Structural Science ◽

10.1107/s0108768188008419 ◽

1988 ◽

Vol 44 (6) ◽

pp. 563-568 ◽

Cited By ~ 16

Author(s):

J. P. Attfield

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Structure Determinations ◽

Ab Initio Structure ◽

Palladium Oxides

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Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography

Chemical Communications ◽

10.1039/d0cc03647a ◽

2020 ◽

Vol 56 (70) ◽

pp. 10159-10162

Author(s):

James M. Crosland ◽

Emily K. Corlett ◽

Dave Scapens ◽

Nathalie Guillou ◽

Steven P. Brown ◽

...

Keyword(s):

Aqueous Solution ◽

Solid State ◽

Ab Initio ◽

Powder Diffraction ◽

Solid State Nmr ◽

Polycrystalline Sample ◽

X Ray ◽

Nmr Crystallography

Zirconium tetramandelate forms from aqueous solution and unusually contains isolated cations; its structure is determined ab initio from a polycrystalline sample using a combined synchrotron X-ray powder diffraction and solid-state NMR approach.

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