Crystal structure of uranium(IV) tetraiodide by x-ray and neutron diffraction

The crystal structure of uranium tetraiodide has been solved by a combination of x-ray and neutron diffraction techniques. UI/sub 4/ is monoclinic, of space group C2/c, with a = 13.967 (6) A, b = 8.472 (4) A, c = 7.510 (3) A, and ..beta.. = 90.54 (5)/sup 0/. The uranium atom is at position 4(e) with...

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Veröffentlicht in:Inorg. Chem.; (United States) 1980-03, Vol.19 (3), p.672-674
Hauptverfasser: Levy, J. H, Taylor, J. C, Waugh, A. B
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Taylor, J. C
Waugh, A. B
description The crystal structure of uranium tetraiodide has been solved by a combination of x-ray and neutron diffraction techniques. UI/sub 4/ is monoclinic, of space group C2/c, with a = 13.967 (6) A, b = 8.472 (4) A, c = 7.510 (3) A, and ..beta.. = 90.54 (5)/sup 0/. The uranium atom is at position 4(e) with y = 0.152 (2), and the iodine atoms are in general positions 8(f). There are two types of iodine atoms with I(1) at (0.123 (1), 0.118 (2), -0.086 (2)) and I(2) at (-0.134 (1), 0.382 (3), and 0.100 (2)). The structure, based on hexagonal close packing of the iodine atoms, consists of zigzag chains UI/sub 2/I, with the terminal iodine atoms in cis positions. The U-I(1) (bridging) distances are 3.08 (2) and 3.11 (2) A, and the U-I(2) (terminal) distances are both 2.92 (2) A. The parameters were determined by the neutron powder profile refinement technique, and R = ..sigma..(absolute value y/sub 0/ - y/sub c/)/..sigma..y/sub 0/ = 0.13, R(expected) = ((NO - NV)/..sigma..wy/sub 0//sup 2/)/sup 1/2/ = 0.11, and chi/sup 2/ = ..sigma..w(y/sub 0/ - y/sub c/)/sup 2//(NO - NV) = 1.7. UI/sub 4/ is not isostructural with any other known MX/sub 4/ halide and is the only actinide tetrahalide to have a chain structure, although chains are common in the transition-metal tetrahalide structures. 4 figures, 1 table.
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H ; Taylor, J. C ; Waugh, A. B</creator><creatorcontrib>Levy, J. H ; Taylor, J. C ; Waugh, A. B ; AAEC Research Establishment, Sutherland, Australia</creatorcontrib><description>The crystal structure of uranium tetraiodide has been solved by a combination of x-ray and neutron diffraction techniques. UI/sub 4/ is monoclinic, of space group C2/c, with a = 13.967 (6) A, b = 8.472 (4) A, c = 7.510 (3) A, and ..beta.. = 90.54 (5)/sup 0/. The uranium atom is at position 4(e) with y = 0.152 (2), and the iodine atoms are in general positions 8(f). There are two types of iodine atoms with I(1) at (0.123 (1), 0.118 (2), -0.086 (2)) and I(2) at (-0.134 (1), 0.382 (3), and 0.100 (2)). The structure, based on hexagonal close packing of the iodine atoms, consists of zigzag chains UI/sub 2/I, with the terminal iodine atoms in cis positions. The U-I(1) (bridging) distances are 3.08 (2) and 3.11 (2) A, and the U-I(2) (terminal) distances are both 2.92 (2) A. The parameters were determined by the neutron powder profile refinement technique, and R = ..sigma..(absolute value y/sub 0/ - y/sub c/)/..sigma..y/sub 0/ = 0.13, R(expected) = ((NO - NV)/..sigma..wy/sub 0//sup 2/)/sup 1/2/ = 0.11, and chi/sup 2/ = ..sigma..w(y/sub 0/ - y/sub c/)/sup 2//(NO - NV) = 1.7. 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B</creatorcontrib><creatorcontrib>AAEC Research Establishment, Sutherland, Australia</creatorcontrib><title>Crystal structure of uranium(IV) tetraiodide by x-ray and neutron diffraction</title><title>Inorg. Chem.; (United States)</title><addtitle>Inorg. Chem</addtitle><description>The crystal structure of uranium tetraiodide has been solved by a combination of x-ray and neutron diffraction techniques. UI/sub 4/ is monoclinic, of space group C2/c, with a = 13.967 (6) A, b = 8.472 (4) A, c = 7.510 (3) A, and ..beta.. = 90.54 (5)/sup 0/. The uranium atom is at position 4(e) with y = 0.152 (2), and the iodine atoms are in general positions 8(f). There are two types of iodine atoms with I(1) at (0.123 (1), 0.118 (2), -0.086 (2)) and I(2) at (-0.134 (1), 0.382 (3), and 0.100 (2)). The structure, based on hexagonal close packing of the iodine atoms, consists of zigzag chains UI/sub 2/I, with the terminal iodine atoms in cis positions. The U-I(1) (bridging) distances are 3.08 (2) and 3.11 (2) A, and the U-I(2) (terminal) distances are both 2.92 (2) A. The parameters were determined by the neutron powder profile refinement technique, and R = ..sigma..(absolute value y/sub 0/ - y/sub c/)/..sigma..y/sub 0/ = 0.13, R(expected) = ((NO - NV)/..sigma..wy/sub 0//sup 2/)/sup 1/2/ = 0.11, and chi/sup 2/ = ..sigma..w(y/sub 0/ - y/sub c/)/sup 2//(NO - NV) = 1.7. UI/sub 4/ is not isostructural with any other known MX/sub 4/ halide and is the only actinide tetrahalide to have a chain structure, although chains are common in the transition-metal tetrahalide structures. 4 figures, 1 table.</description><subject>400702 - Radiochemistry &amp; Nuclear Chemistry- Properties of Radioactive Materials</subject><subject>ACTINIDE COMPOUNDS</subject><subject>COHERENT SCATTERING</subject><subject>CRYSTAL STRUCTURE</subject><subject>DIFFRACTION</subject><subject>HALIDES</subject><subject>HALOGEN COMPOUNDS</subject><subject>IODIDES</subject><subject>IODINE COMPOUNDS</subject><subject>NEUTRON DIFFRACTION</subject><subject>RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY</subject><subject>SCATTERING</subject><subject>URANIUM COMPOUNDS</subject><subject>URANIUM IODIDES</subject><subject>X-RAY DIFFRACTION</subject><issn>0020-1669</issn><issn>1520-510X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1980</creationdate><recordtype>article</recordtype><recordid>eNpt0EtLAzEUBeAgCtbqyj8Q3KjIaB6Tmc5Siq2FFoVWKW5CJg9MbRNJMtD5946MiAtXFy4fB84B4ByjW4wIvrOSIYKYQLg6AAPMCMoYRutDMEDdP8NFUR2Dkxg3CKGK5sUALMahjUlsYUyhkakJGnoDmyCcbXZXs9drmHQKwnpllYZ1C_dZEC0UTkGnmxS8g8oaE4RM1rtTcGTENuqznzsEL5OH1fgxmz9NZ-P7eSYoGaWMsVIwwoySxlS4VqNaspHWFSamFLWihJUI66JmEjFFESalxJLkpVJEYEIoHYKLPtfHZHmUNmn5Lr1zWibOaE5xV28Ibnokg48xaMM_g92J0HKM-Pdc_M9cnc56bWPS-18qwgcvSloyvnpe8ny9mKK35YTPO3_ZeyEj3_gmuK7wv8lfHWF4lQ</recordid><startdate>19800301</startdate><enddate>19800301</enddate><creator>Levy, J. H</creator><creator>Taylor, J. C</creator><creator>Waugh, A. B</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19800301</creationdate><title>Crystal structure of uranium(IV) tetraiodide by x-ray and neutron diffraction</title><author>Levy, J. H ; Taylor, J. C ; Waugh, A. B</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a328t-557a525fdcff91bd8bc58ee912f7abd325701e6b5c05d30127c1c247dd2a12233</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1980</creationdate><topic>400702 - Radiochemistry &amp; Nuclear Chemistry- Properties of Radioactive Materials</topic><topic>ACTINIDE COMPOUNDS</topic><topic>COHERENT SCATTERING</topic><topic>CRYSTAL STRUCTURE</topic><topic>DIFFRACTION</topic><topic>HALIDES</topic><topic>HALOGEN COMPOUNDS</topic><topic>IODIDES</topic><topic>IODINE COMPOUNDS</topic><topic>NEUTRON DIFFRACTION</topic><topic>RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY</topic><topic>SCATTERING</topic><topic>URANIUM COMPOUNDS</topic><topic>URANIUM IODIDES</topic><topic>X-RAY DIFFRACTION</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Levy, J. H</creatorcontrib><creatorcontrib>Taylor, J. C</creatorcontrib><creatorcontrib>Waugh, A. B</creatorcontrib><creatorcontrib>AAEC Research Establishment, Sutherland, Australia</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>Inorg. Chem.; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Levy, J. H</au><au>Taylor, J. C</au><au>Waugh, A. B</au><aucorp>AAEC Research Establishment, Sutherland, Australia</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure of uranium(IV) tetraiodide by x-ray and neutron diffraction</atitle><jtitle>Inorg. Chem.; (United States)</jtitle><addtitle>Inorg. Chem</addtitle><date>1980-03-01</date><risdate>1980</risdate><volume>19</volume><issue>3</issue><spage>672</spage><epage>674</epage><pages>672-674</pages><issn>0020-1669</issn><eissn>1520-510X</eissn><abstract>The crystal structure of uranium tetraiodide has been solved by a combination of x-ray and neutron diffraction techniques. UI/sub 4/ is monoclinic, of space group C2/c, with a = 13.967 (6) A, b = 8.472 (4) A, c = 7.510 (3) A, and ..beta.. = 90.54 (5)/sup 0/. The uranium atom is at position 4(e) with y = 0.152 (2), and the iodine atoms are in general positions 8(f). There are two types of iodine atoms with I(1) at (0.123 (1), 0.118 (2), -0.086 (2)) and I(2) at (-0.134 (1), 0.382 (3), and 0.100 (2)). The structure, based on hexagonal close packing of the iodine atoms, consists of zigzag chains UI/sub 2/I, with the terminal iodine atoms in cis positions. The U-I(1) (bridging) distances are 3.08 (2) and 3.11 (2) A, and the U-I(2) (terminal) distances are both 2.92 (2) A. The parameters were determined by the neutron powder profile refinement technique, and R = ..sigma..(absolute value y/sub 0/ - y/sub c/)/..sigma..y/sub 0/ = 0.13, R(expected) = ((NO - NV)/..sigma..wy/sub 0//sup 2/)/sup 1/2/ = 0.11, and chi/sup 2/ = ..sigma..w(y/sub 0/ - y/sub c/)/sup 2//(NO - NV) = 1.7. UI/sub 4/ is not isostructural with any other known MX/sub 4/ halide and is the only actinide tetrahalide to have a chain structure, although chains are common in the transition-metal tetrahalide structures. 4 figures, 1 table.</abstract><cop>United States</cop><pub>American Chemical Society</pub><doi>10.1021/ic50205a019</doi><tpages>3</tpages></addata></record>
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subjects 400702 - Radiochemistry & Nuclear Chemistry- Properties of Radioactive Materials
ACTINIDE COMPOUNDS
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
HALIDES
HALOGEN COMPOUNDS
IODIDES
IODINE COMPOUNDS
NEUTRON DIFFRACTION
RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
SCATTERING
URANIUM COMPOUNDS
URANIUM IODIDES
X-RAY DIFFRACTION
title Crystal structure of uranium(IV) tetraiodide by x-ray and neutron diffraction
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