The transition in nitratine, NaNO3, and implications for calcite, CaCO3
The temperature dependences of the crystal structure and superstructure intensities in sodium nitrate, mineral name nitratine, NaNO 3 , were studied using Rietveld structure refinements based on synchrotron powder X-ray diffraction. Nitratine transforms from at T c = 552(1) K. A NO 3 group occupies...
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| Veröffentlicht in: | Physics and chemistry of minerals 2008-12, Vol.35 (10), p.545-557 |
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| creator | Antao, Sytle M. Hassan, Ishmael Mulder, Willem H. Lee, Peter L. |
| description | The temperature dependences of the crystal structure and superstructure intensities in sodium nitrate, mineral name nitratine, NaNO
3
, were studied using Rietveld structure refinements based on synchrotron powder X-ray diffraction. Nitratine transforms from
at
T
c
= 552(1) K. A NO
3
group occupies, statistically, two positions with equal frequency in the disordered
phase, but with unequal frequency in the partially ordered
phase. One position for the NO
3
group is rotated by 60° or 180° with respect to the other. The occupancy of the two orientations in the
phase is obtained from the occupancy factor,
x
, for the O1 site and gives rise to the order parameter,
S
= 2
x
− 1, where
S
is 0 at
T
c
and 1 at 0 K. The NO
3
groups rotate in a rapid process from about 541 to
T
c
, where the
a
axis contracts. Using a modified Bragg–Williams model, a good fit was obtained for the normalized intensities (that is, normalized, NI
1/2
) for the (113) and (211) reflections in
and indicates a second-order transition. Using the same model, a reasonable fit was obtained for the order parameter,
S
, and also supports a second-order transition. |
| doi_str_mv | 10.1007/s00269-008-0232-8 |
| format | Article |
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3
, were studied using Rietveld structure refinements based on synchrotron powder X-ray diffraction. Nitratine transforms from
at
T
c
= 552(1) K. A NO
3
group occupies, statistically, two positions with equal frequency in the disordered
phase, but with unequal frequency in the partially ordered
phase. One position for the NO
3
group is rotated by 60° or 180° with respect to the other. The occupancy of the two orientations in the
phase is obtained from the occupancy factor,
x
, for the O1 site and gives rise to the order parameter,
S
= 2
x
− 1, where
S
is 0 at
T
c
and 1 at 0 K. The NO
3
groups rotate in a rapid process from about 541 to
T
c
, where the
a
axis contracts. Using a modified Bragg–Williams model, a good fit was obtained for the normalized intensities (that is, normalized, NI
1/2
) for the (113) and (211) reflections in
and indicates a second-order transition. Using the same model, a reasonable fit was obtained for the order parameter,
S
, and also supports a second-order transition.</description><identifier>ISSN: 0342-1791</identifier><identifier>EISSN: 1432-2021</identifier><identifier>DOI: 10.1007/s00269-008-0232-8</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer-Verlag</publisher><subject>Calcite ; Calcium carbonate ; Crystal structure ; Crystallography and Scattering Methods ; Earth and Environmental Science ; Earth Sciences ; Geochemistry ; Mathematical models ; Mineral Resources ; Mineralogy ; Occupancy ; Order parameters ; Original Paper ; Superstructures ; X ray powder diffraction ; X-ray diffraction</subject><ispartof>Physics and chemistry of minerals, 2008-12, Vol.35 (10), p.545-557</ispartof><rights>Springer-Verlag 2008</rights><rights>Physics and Chemistry of Minerals is a copyright of Springer, (2008). All Rights Reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s00269-008-0232-8$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s00269-008-0232-8$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Antao, Sytle M.</creatorcontrib><creatorcontrib>Hassan, Ishmael</creatorcontrib><creatorcontrib>Mulder, Willem H.</creatorcontrib><creatorcontrib>Lee, Peter L.</creatorcontrib><title>The transition in nitratine, NaNO3, and implications for calcite, CaCO3</title><title>Physics and chemistry of minerals</title><addtitle>Phys Chem Minerals</addtitle><description>The temperature dependences of the crystal structure and superstructure intensities in sodium nitrate, mineral name nitratine, NaNO
3
, were studied using Rietveld structure refinements based on synchrotron powder X-ray diffraction. Nitratine transforms from
at
T
c
= 552(1) K. A NO
3
group occupies, statistically, two positions with equal frequency in the disordered
phase, but with unequal frequency in the partially ordered
phase. One position for the NO
3
group is rotated by 60° or 180° with respect to the other. The occupancy of the two orientations in the
phase is obtained from the occupancy factor,
x
, for the O1 site and gives rise to the order parameter,
S
= 2
x
− 1, where
S
is 0 at
T
c
and 1 at 0 K. The NO
3
groups rotate in a rapid process from about 541 to
T
c
, where the
a
axis contracts. Using a modified Bragg–Williams model, a good fit was obtained for the normalized intensities (that is, normalized, NI
1/2
) for the (113) and (211) reflections in
and indicates a second-order transition. Using the same model, a reasonable fit was obtained for the order parameter,
S
, and also supports a second-order transition.</description><subject>Calcite</subject><subject>Calcium carbonate</subject><subject>Crystal structure</subject><subject>Crystallography and Scattering Methods</subject><subject>Earth and Environmental Science</subject><subject>Earth Sciences</subject><subject>Geochemistry</subject><subject>Mathematical models</subject><subject>Mineral Resources</subject><subject>Mineralogy</subject><subject>Occupancy</subject><subject>Order parameters</subject><subject>Original Paper</subject><subject>Superstructures</subject><subject>X ray powder diffraction</subject><subject>X-ray diffraction</subject><issn>0342-1791</issn><issn>1432-2021</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNpFkE1LxDAQhoMoWFd_gLeA141OPpqkRym6Csv20ntIu6lmqWltuv_flAp7mhneh3nhQeiRwjMFUC8RgMmCAGgCjDOir1BGRVoYMHqNMuCCEaoKeovuYjwBpFDlGdrV3w7Pkw3Rz34I2AccfLpnH9wWH-yh4ltswxH7n7H3rV2giLthwq3tWz8nqLRlxe_RTWf76B7-5wbV7291-UH21e6zfN2TUVFNlNQacmUb1oIqOIjOqkZyzUXe5YrSoxVCUWcT67h0yrlW2S6nUvKmyFvJN-hpfTtOw-_ZxdmchvMUUqNhTDLQS0Oi2ErFcfLhy00XioJZfJnVl0m-zOLLaP4HOPda3g</recordid><startdate>20081201</startdate><enddate>20081201</enddate><creator>Antao, Sytle M.</creator><creator>Hassan, Ishmael</creator><creator>Mulder, Willem H.</creator><creator>Lee, Peter L.</creator><general>Springer-Verlag</general><general>Springer Nature B.V</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AEUYN</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>BKSAR</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>PCBAR</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope></search><sort><creationdate>20081201</creationdate><title>The transition in nitratine, NaNO3, and implications for calcite, CaCO3</title><author>Antao, Sytle M. ; Hassan, Ishmael ; Mulder, Willem H. ; Lee, Peter L.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p718-7688057ab2c079304fa7b638345f5711da4471ea718e36e7eec7af51663b95c63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Calcite</topic><topic>Calcium carbonate</topic><topic>Crystal structure</topic><topic>Crystallography and Scattering Methods</topic><topic>Earth and Environmental Science</topic><topic>Earth Sciences</topic><topic>Geochemistry</topic><topic>Mathematical models</topic><topic>Mineral Resources</topic><topic>Mineralogy</topic><topic>Occupancy</topic><topic>Order parameters</topic><topic>Original Paper</topic><topic>Superstructures</topic><topic>X ray powder diffraction</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Antao, Sytle M.</creatorcontrib><creatorcontrib>Hassan, Ishmael</creatorcontrib><creatorcontrib>Mulder, Willem H.</creatorcontrib><creatorcontrib>Lee, Peter L.</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest One Sustainability</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>Natural Science Collection</collection><collection>Earth, Atmospheric & Aquatic Science Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>Earth, Atmospheric & Aquatic Science Database</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><jtitle>Physics and chemistry of minerals</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Antao, Sytle M.</au><au>Hassan, Ishmael</au><au>Mulder, Willem H.</au><au>Lee, Peter L.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The transition in nitratine, NaNO3, and implications for calcite, CaCO3</atitle><jtitle>Physics and chemistry of minerals</jtitle><stitle>Phys Chem Minerals</stitle><date>2008-12-01</date><risdate>2008</risdate><volume>35</volume><issue>10</issue><spage>545</spage><epage>557</epage><pages>545-557</pages><issn>0342-1791</issn><eissn>1432-2021</eissn><abstract>The temperature dependences of the crystal structure and superstructure intensities in sodium nitrate, mineral name nitratine, NaNO
3
, were studied using Rietveld structure refinements based on synchrotron powder X-ray diffraction. Nitratine transforms from
at
T
c
= 552(1) K. A NO
3
group occupies, statistically, two positions with equal frequency in the disordered
phase, but with unequal frequency in the partially ordered
phase. One position for the NO
3
group is rotated by 60° or 180° with respect to the other. The occupancy of the two orientations in the
phase is obtained from the occupancy factor,
x
, for the O1 site and gives rise to the order parameter,
S
= 2
x
− 1, where
S
is 0 at
T
c
and 1 at 0 K. The NO
3
groups rotate in a rapid process from about 541 to
T
c
, where the
a
axis contracts. Using a modified Bragg–Williams model, a good fit was obtained for the normalized intensities (that is, normalized, NI
1/2
) for the (113) and (211) reflections in
and indicates a second-order transition. Using the same model, a reasonable fit was obtained for the order parameter,
S
, and also supports a second-order transition.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer-Verlag</pub><doi>10.1007/s00269-008-0232-8</doi><tpages>13</tpages></addata></record> |
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| subjects | Calcite Calcium carbonate Crystal structure Crystallography and Scattering Methods Earth and Environmental Science Earth Sciences Geochemistry Mathematical models Mineral Resources Mineralogy Occupancy Order parameters Original Paper Superstructures X ray powder diffraction X-ray diffraction |
| title | The transition in nitratine, NaNO3, and implications for calcite, CaCO3 |
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