A high resolution powder neutron diffraction study of the novel layered oxide BiMo2O7OD · 2D2O

J. A. Hriljac; C. C. Torardi; T. Vogt

A high resolution powder neutron diffraction study of the novel layered oxide BiMo2O7OD · 2D2O

J. A. Hriljac^*, C. C. Torardi, T. Vogt

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo₂O₇OH · 2H₂O. Analysis using the Rietveld method has provided the locations of the deuterium atoms and led to an excellent structural refinement in space group P2₁/m with a = 6.3594(1) A ̊, b = 11.5976(1) A ̊, c = 5.7962(1) A ̊, and β = 113.434(1) °. The model refined to give R_wp = 6.69%, R_I = 7.30%, and gc² = 2.75 for 55 variables (47 structural) and 475 reflections. The location of the deuterium atoms confirms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deuterium bonding is provided.

Original language	English
Pages (from-to)	1339-1343
Number of pages	5
Journal	Journal of Physics and Chemistry of Solids
Volume	56
Issue number	10
Publication status	Published - Oct 1995
Externally published	Yes

Keywords

A. oxides
C. neutron scattering
D. crystal structure

ASJC Scopus subject areas

Condensed Matter Physics
Materials Science(all)
Chemistry(all)

Cite this

@article{529551852ac44d578f7c443ea21b5a6f,

title = "A high resolution powder neutron diffraction study of the novel layered oxide BiMo2O7OD · 2D2O",

abstract = "High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo2O7OH · 2H2O. Analysis using the Rietveld method has provided the locations of the deuterium atoms and led to an excellent structural refinement in space group P21/m with a = 6.3594(1) A ̊, b = 11.5976(1) A ̊, c = 5.7962(1) A ̊, and β = 113.434(1) °. The model refined to give Rwp = 6.69%, RI = 7.30%, and gc2 = 2.75 for 55 variables (47 structural) and 475 reflections. The location of the deuterium atoms confirms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deuterium bonding is provided.",

keywords = "A. oxides, C. neutron scattering, D. crystal structure",

author = "Hriljac, {J. A.} and Torardi, {C. C.} and T. Vogt",

year = "1995",

month = oct,

language = "English",

volume = "56",

pages = "1339--1343",

journal = "Journal of Physics and Chemistry of Solids",

issn = "0022-3697",

publisher = "Elsevier",

number = "10",

}

TY - JOUR

T1 - A high resolution powder neutron diffraction study of the novel layered oxide BiMo2O7OD · 2D2O

AU - Hriljac, J. A.

AU - Torardi, C. C.

AU - Vogt, T.

PY - 1995/10

Y1 - 1995/10

N2 - High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo2O7OH · 2H2O. Analysis using the Rietveld method has provided the locations of the deuterium atoms and led to an excellent structural refinement in space group P21/m with a = 6.3594(1) A ̊, b = 11.5976(1) A ̊, c = 5.7962(1) A ̊, and β = 113.434(1) °. The model refined to give Rwp = 6.69%, RI = 7.30%, and gc2 = 2.75 for 55 variables (47 structural) and 475 reflections. The location of the deuterium atoms confirms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deuterium bonding is provided.

AB - High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo2O7OH · 2H2O. Analysis using the Rietveld method has provided the locations of the deuterium atoms and led to an excellent structural refinement in space group P21/m with a = 6.3594(1) A ̊, b = 11.5976(1) A ̊, c = 5.7962(1) A ̊, and β = 113.434(1) °. The model refined to give Rwp = 6.69%, RI = 7.30%, and gc2 = 2.75 for 55 variables (47 structural) and 475 reflections. The location of the deuterium atoms confirms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deuterium bonding is provided.

KW - A. oxides

KW - C. neutron scattering

KW - D. crystal structure

UR - http://www.scopus.com/inward/record.url?scp=0010416660&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0010416660

SN - 0022-3697

VL - 56

SP - 1339

EP - 1343

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

IS - 10

ER -

A high resolution powder neutron diffraction study of the novel layered oxide BiMo2O7OD · 2D2O

Abstract

Keywords

ASJC Scopus subject areas

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