skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Synthesis, IR spectroscopy and crystal structure of [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), the first compound with a trimer beryllophosphate anion

Abstract

Abstract The first uranyl beryllophosphate, [(UO 2) 2{Be(H 2O) 2(PO 4) 2}]·(H 2O), has been synthesized under hydrothermal conditions at 200°C. The monoclinic unit-cell parameters are:a=9.3361(1),b=8.8545(4),c=9.6592(10) Å, β=93.211(1)°,V=797.21(6) Å 3, space groupP2/n,Z=2. The crystal structure has been solved by direct methods and refined to finalR 1=4.92% using 1294I>3σ(I) reflections in the anisotropic approximation. The structure consists of sheets ofUrO 5pentagonal bipyramids and PO 4tetrahedra.UrO 5bipyramids are linked by edge-sharing to form infinite chains. Adjacent chains ofUrO 5bipyramids are connected by sharing alternating edges of uranyl bipyramids with PO 4tetrahedra. The resulting sheets are based on the well-known uranophane anion-topology. Be atoms are tetrahedrally coordinated by two oxygen atoms of PO 4tetrahedra and two water molecules in the interlayer space. One isolated water molecule also occurs in the interlayer space, where it is held in position by H bonds. The connection between the phosphorus and beryllium tetrahedra leads to formation of an unbranched trimer [BeP 2O 8(H 2O) 2] 4−observed for the first time in inorganic oxysalts.

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470347
DOE Contract Number:  
SC0001089
Resource Type:
Journal Article
Journal Name:
Zeitschrift fuer Kristallographie. Crystalline Materials
Additional Journal Information:
Journal Volume: 233; Journal Issue: 6; Related Information: MSA partners with University of Notre Dame (lead); University of California, Davis; Florida State University; George Washington University; University of Michigan; University of Minnesota; Oak Ridge National Laboratory; Oregon state University; Rensselaer Polytechnic Institute; Savannah River National Laboratory; Journal ID: ISSN 2194-4946
Publisher:
de Gruyter
Country of Publication:
United States
Language:
English
Subject:
nuclear (including radiation effects), materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Dal Bo, Fabrice, Aksenov, Sergey M., Hatert, Frédéric, and Burns, Peter C. Synthesis, IR spectroscopy and crystal structure of [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), the first compound with a trimer beryllophosphate anion. United States: N. p., 2018. Web. doi:10.1515/zkri-2017-2113.
Dal Bo, Fabrice, Aksenov, Sergey M., Hatert, Frédéric, & Burns, Peter C. Synthesis, IR spectroscopy and crystal structure of [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), the first compound with a trimer beryllophosphate anion. United States. doi:10.1515/zkri-2017-2113.
Dal Bo, Fabrice, Aksenov, Sergey M., Hatert, Frédéric, and Burns, Peter C. Wed . "Synthesis, IR spectroscopy and crystal structure of [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), the first compound with a trimer beryllophosphate anion". United States. doi:10.1515/zkri-2017-2113.
@article{osti_1470347,
title = {Synthesis, IR spectroscopy and crystal structure of [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), the first compound with a trimer beryllophosphate anion},
author = {Dal Bo, Fabrice and Aksenov, Sergey M. and Hatert, Frédéric and Burns, Peter C.},
abstractNote = {Abstract The first uranyl beryllophosphate, [(UO2)2{Be(H2O)2(PO4)2}]·(H2O), has been synthesized under hydrothermal conditions at 200°C. The monoclinic unit-cell parameters are:a=9.3361(1),b=8.8545(4),c=9.6592(10) Å, β=93.211(1)°,V=797.21(6) Å3, space groupP2/n,Z=2. The crystal structure has been solved by direct methods and refined to finalR1=4.92% using 1294I>3σ(I) reflections in the anisotropic approximation. The structure consists of sheets ofUrO5pentagonal bipyramids and PO4tetrahedra.UrO5bipyramids are linked by edge-sharing to form infinite chains. Adjacent chains ofUrO5bipyramids are connected by sharing alternating edges of uranyl bipyramids with PO4tetrahedra. The resulting sheets are based on the well-known uranophane anion-topology. Be atoms are tetrahedrally coordinated by two oxygen atoms of PO4tetrahedra and two water molecules in the interlayer space. One isolated water molecule also occurs in the interlayer space, where it is held in position by H bonds. The connection between the phosphorus and beryllium tetrahedra leads to formation of an unbranched trimer [BeP2O8(H2O)2]4−observed for the first time in inorganic oxysalts.},
doi = {10.1515/zkri-2017-2113},
journal = {Zeitschrift fuer Kristallographie. Crystalline Materials},
issn = {2194-4946},
number = 6,
volume = 233,
place = {United States},
year = {2018},
month = {6}
}

Works referenced in this record:

The Crystal Chemistry of Beryllium
journal, January 2002

  • Hawthorne, F. C.; Huminicki, D. M. C.
  • Reviews in Mineralogy and Geochemistry, Vol. 50, Issue 1
  • DOI: 10.2138/rmg.2002.50.9

U Be 13 : An Unconventional Actinide Superconductor
journal, May 1983


Cost–benefit analysis of BeO–UO2 nuclear fuel
journal, November 2010


The Crystal Chemistry of the Phosphate Minerals
journal, January 2002

  • Huminicki, D. M. C.; Hawthorne, F. C.
  • Reviews in Mineralogy and Geochemistry, Vol. 48, Issue 1
  • DOI: 10.2138/rmg.2002.48.5

Anomalous temperature dependence of the magnetic field penetration depth in superconducting UBe13
journal, June 1986

  • Gross, F.; Chandrasekhar, B. S.; Einzel, D.
  • Zeitschrift f�r Physik B Condensed Matter, Vol. 64, Issue 2
  • DOI: 10.1007/BF01303700

Tetrahedral Networks Containing Beryllium: Syntheses and Structures of Be3(PO4)2 · 2H2O and Be(HAsO4) · H2O
journal, September 1999

  • Gier, Thurman E.; Bu, Xianhui; Stucky, Galen D.
  • Journal of Solid State Chemistry, Vol. 146, Issue 2
  • DOI: 10.1006/jssc.1999.8370

Tetravalent, pentavalent and hexavalent uranium compounds of the type A2BB′O6
journal, May 1967

  • Awasthi, S. K.; Chackraburtty, D. M.; Tondon, V. K.
  • Journal of Inorganic and Nuclear Chemistry, Vol. 29, Issue 5
  • DOI: 10.1016/0022-1902(67)80361-0

New processing methods to produce silicon carbide and beryllium oxide inert matrix and enhanced thermal conductivity oxide fuels
journal, June 2006


Enhanced thermal conductivity oxide nuclear fuels by co-sintering with BeO: II. Fuel performance and neutronics
journal, April 2008


An ab initio study of beryllium(II) hydration
journal, November 2009


A Revised and Expanded Structure Hierarchy of Natural and Synthetic Hexavalent Uranium Compounds
journal, January 2016

  • Lussier, Aaron J.; Lopez, Rachel A. K.; Burns, Peter C.
  • The Canadian Mineralogist, Vol. 54, Issue 1
  • DOI: 10.3749/canmin.1500078

Investigation of UBe13 and other beryllium and uranium compounds in normal and superconducting states
journal, July 1986

  • Alekseevskii, N. E.; Nizhankovskii, V. I.; Narozhnyi, V. N.
  • Journal of Low Temperature Physics, Vol. 64, Issue 1-2
  • DOI: 10.1007/BF00681544

X-ray and neutron diffraction studies of the MBe13 intermetallic compounds
journal, May 1952


SUPERFLIP – a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
journal, July 2007


On the possibility of using uranium-beryllium oxide fuel in a VVER reactor
journal, December 2014

  • Kovalishin, A. A.; Prosyolkov, V. N.; Sidorenko, V. D.
  • Physics of Atomic Nuclei, Vol. 77, Issue 14
  • DOI: 10.1134/S1063778814140063

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011


The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon–oxygen bonds
journal, February 1982

  • Baur, W. H.; Ohta, T.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 38, Issue 2
  • DOI: 10.1107/S0567740882003057

Synthesis and Crystal Structure of the Pentahydrated Uranyl Orthovanadate (UO2)3(VO4)2·5H2O, Precursor for the New (UO2)3(VO4)2 Uranyl-Vanadate
journal, February 2000

  • Saadi, M.; Dion, C.; Abraham, F.
  • Journal of Solid State Chemistry, Vol. 150, Issue 1
  • DOI: 10.1006/jssc.1999.8549