Ab initio structure determination of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) from X-ray powder diffraction data

Ab initio structure determination of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) from X-ray powder diffraction... Abstract The crystal structure of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) has been determined from X-ray powder diffraction data. The structure is orthorhombic, space group Pmmn (No. 59), with unit cell dimensions a = 12.9398(2) Å, b = 11.3725(3) Å, c = 5.0385(1) Å, V = 741.45(3) Å 3 , Z = 2, and D x = 3.23 g/cm 3 . The structure has been solved by direct methods using EXPO program and refined by FULLPROF package. The final R Bragg value was 4.6%. Positions of hydrogen atoms were not defined. Indium cation has sixfold oxygen coordination being surrounded by two diphosphate and four cyclotetraphosphate groups. Probable scheme of hydrogen bonding is discussed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

Ab initio structure determination of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) from X-ray powder diffraction data

Loading next page...
 
/lp/de-gruyter/ab-initio-structure-determination-of-in-2-h-2-p-2-o-7-p-4-o-12-from-x-UgUJ01cuHQ
Publisher
de Gruyter
Copyright
Copyright © 2003 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.218.1.32.20778
Publisher site
See Article on Publisher Site

Abstract

Abstract The crystal structure of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) has been determined from X-ray powder diffraction data. The structure is orthorhombic, space group Pmmn (No. 59), with unit cell dimensions a = 12.9398(2) Å, b = 11.3725(3) Å, c = 5.0385(1) Å, V = 741.45(3) Å 3 , Z = 2, and D x = 3.23 g/cm 3 . The structure has been solved by direct methods using EXPO program and refined by FULLPROF package. The final R Bragg value was 4.6%. Positions of hydrogen atoms were not defined. Indium cation has sixfold oxygen coordination being surrounded by two diphosphate and four cyclotetraphosphate groups. Probable scheme of hydrogen bonding is discussed.

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jan 1, 2003

There are no references for this article.

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Search

Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly

Organize

Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.

Access

Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve

Freelancer

DeepDyve

Pro

Price

FREE

$49/month
$360/year

Save searches from
Google Scholar,
PubMed

Create folders to
organize your research

Export folders, citations

Read DeepDyve articles

Abstract access only

Unlimited access to over
18 million full-text articles

Print

20 pages / month

PDF Discount

20% off