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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
Resource Relation:
Journal Name: Zeitschrift fuer Kristallographie. Crystalline Materials; 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
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},
number = 6,
volume = 233,
place = {United States},
year = {Wed Jun 27 00:00:00 EDT 2018},
month = {Wed Jun 27 00:00:00 EDT 2018}
}