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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

Journal Article · · Zeitschrift fuer Kristallographie. Crystalline Materials
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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 group P2/n, Z=2. The crystal structure has been solved by direct methods and refined to final R1 = 4.92% using 1294I > 3σ(I) reflections in the anisotropic approximation. The structure consists of sheets of Ur O5pentagonal bipyramids and PO4 tetrahedra.UrO5 bipyramids are linked by edge-sharing to form infinite chains. Adjacent chains of UrO5 bipyramids 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 PO4 tetrahedra 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.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0001089
OSTI ID:
1470347
Journal Information:
Zeitschrift fuer Kristallographie. Crystalline Materials, Vol. 233, 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; ISSN 2194-4946
Publisher:
de Gruyter
Country of Publication:
United States
Language:
English

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nuclear (including radiation effects)
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synthesis (novel materials)
synthesis (self-assembly)