Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction
1
Chemistry Department, University of Odense, 5230 Odense M, Denmark
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Publication type: Journal Article
Publication date: 1998-02-18
scimago Q1
wos Q1
SJR: 0.958
CiteScore: 7.4
Impact factor: 4.7
ISSN: 00201669, 1520510X
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
A new 3-dimensional zirconium hydrogen phosphate, τ-Zr(HPO4)2, was prepared by hydrothermal syntheses. The preparation, characterization, and determination of the crystal structure of this new material are reported. The structure was solved from single-crystal synchrotron diffraction on a 25 × 25 × 50 μm crystal. The position of the hydrogen atom was found using high-resolution neutron powder diffraction data. The unit cell is tetragonal, space group I41cd (No. 110), with lattice parameters a = 11.259(1) A, c = 10.764(1) A, and Z = 8. The structure can be described as a 3-dimensional framework built from ZrO6 octahedra bound together by hydrogen phosphate groups (PO3(OH)). The OH groups form a hydrogen-bonded spiral along the 41 axes, with each hydrogen phosphate both donating and accepting hydrogen bonds. The thermal transformations of τ-Zr(HPO4)2 were studied using in-situ temperature-resolved powder diffraction experiments. Hereby the existence of two new phases was discovered. The new phases have been...
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Krogh Andersen A. M. et al. Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction // Inorganic Chemistry. 1998. Vol. 37. No. 5. pp. 876-881.
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Krogh Andersen A. M., Norby P., Hanson J., Vogt T. Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction // Inorganic Chemistry. 1998. Vol. 37. No. 5. pp. 876-881.
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TY - JOUR
DO - 10.1021/ic971060h
UR - https://doi.org/10.1021/ic971060h
TI - Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction
T2 - Inorganic Chemistry
AU - Krogh Andersen, Anne Marie
AU - Norby, Poul
AU - Hanson, Jonathan
AU - Vogt, Thomas
PY - 1998
DA - 1998/02/18
PB - American Chemical Society (ACS)
SP - 876-881
IS - 5
VL - 37
SN - 0020-1669
SN - 1520-510X
ER -
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@article{1998_Krogh Andersen,
author = {Anne Marie Krogh Andersen and Poul Norby and Jonathan Hanson and Thomas Vogt},
title = {Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction},
journal = {Inorganic Chemistry},
year = {1998},
volume = {37},
publisher = {American Chemical Society (ACS)},
month = {feb},
url = {https://doi.org/10.1021/ic971060h},
number = {5},
pages = {876--881},
doi = {10.1021/ic971060h}
}
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MLA
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Krogh Andersen, Anne Marie, et al. “Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO4)2. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction.” Inorganic Chemistry, vol. 37, no. 5, Feb. 1998, pp. 876-881. https://doi.org/10.1021/ic971060h.