{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T17:36:29Z","timestamp":1790098589481,"version":"4.0.1"},"reference-count":39,"publisher":"International Union of Crystallography (IUCr)","issue":"4","license":[{"start":{"date-parts":[[2021,5,28]],"date-time":"2021-05-28T00:00:00Z","timestamp":1622160000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2021,5,28]],"date-time":"2021-05-28T00:00:00Z","timestamp":1622160000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["DGE-1147470"],"award-info":[{"award-number":["DGE-1147470"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006132","name":"U.S. Department of Energy, Office of Science","doi-asserted-by":"publisher","award":["DE-AC02-76SF00515"],"award-info":[{"award-number":["DE-AC02-76SF00515"]}],"id":[{"id":"10.13039\/100006132","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["J Synchrotron Rad","J Synchrotron Radiat"],"accepted":{"date-parts":[[2021,4,15]]},"published-print":{"date-parts":[[2021,7,1]]},"abstract":"<jats:p>Zinc <jats:italic>K<\/jats:italic>-edge X-ray absorption near-edge structure (XANES) spectroscopy of Zn adsorbed to silica and Zn-bearing minerals, salts and solutions was conducted to explore how XANES spectra reflect coordination environment and disorder in the surface to which a metal ion is sorbed. Specifically, XANES spectra for five distinct Zn adsorption complexes (Zn<jats:sub>ads<\/jats:sub>) on quartz and amorphous silica [SiO<jats:sub>2(am)<\/jats:sub>] are presented from the Zn\u2013water\u2013silica surface system: outer-sphere octahedral Zn<jats:sub>ads<\/jats:sub> on quartz, inner-sphere octahedral Zn<jats:sub>ads<\/jats:sub> on quartz, inner-sphere tetrahedral Zn<jats:sub>ads<\/jats:sub> on quartz, inner-sphere octahedral Zn<jats:sub>ads<\/jats:sub> on SiO<jats:sub>2(am)<\/jats:sub> and inner-sphere tetrahedral Zn<jats:sub>ads<\/jats:sub> on SiO<jats:sub>2(am)<\/jats:sub>. XANES spectral analysis of these complexes on quartz versus SiO<jats:sub>2(am)<\/jats:sub> reveals that normalized peak absorbance and <jats:italic>K<\/jats:italic>-edge energy position generally decrease with increasing surface disorder and decreasing Zn\u2013O coordination. On quartz, the absorption-edge energy of Zn<jats:sub>ads<\/jats:sub> ranges from 9663.0 to 9664.1\u2005eV for samples dominated by tetrahedrally versus octahedrally coordinated species, respectively. On SiO<jats:sub>2(am)<\/jats:sub>, the absorption-edge energy of Zn<jats:sub>ads<\/jats:sub> ranges from 9662.3 to\u00a09663.4\u2005eV for samples dominated by tetrahedrally versus octahedrally coordinated species, respectively. On both silica substrates, octahedral Zn<jats:sub>ads<\/jats:sub> presents a single <jats:italic>K<\/jats:italic>-edge peak feature, whereas tetrahedral Zn<jats:sub>ads<\/jats:sub> presents two absorbance features. The energy space between the two absorbance peak features of the XANES <jats:italic>K<\/jats:italic>-edge of tetrahedral Zn<jats:sub>ads<\/jats:sub> is 2.4\u2005eV for Zn on quartz and 3.2\u2005eV for Zn on SiO<jats:sub>2(am)<\/jats:sub>. Linear combination fitting of samples with a mixture of Zn<jats:sub>ads<\/jats:sub> complex types demonstrates that the XANES spectra of octahedral and tetrahedral Zn<jats:sub>ads<\/jats:sub> on silica are distinct enough for quantitative identification. These results suggest caution when deciphering Zn speciation in natural samples via linear combination approaches using a single Zn<jats:sub>ads<\/jats:sub> standard to represent sorption on a particular mineral surface. Correlation between XANES spectral features and prior extended X-ray absorption fine structure (EXAFS) derived coordination environments for these Zn<jats:sub>ads<\/jats:sub> on silica samples provides insight into Zn speciation in natural systems with XANES compatible Zn concentrations too low for EXAFS analysis.<\/jats:p>","DOI":"10.1107\/s1600577521004033","type":"journal-article","created":{"date-parts":[[2021,5,28]],"date-time":"2021-05-28T16:44:39Z","timestamp":1622220279000},"page":"1119-1126","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":21,"title":["XANES reflects coordination change and underlying surface disorder of zinc adsorbed to silica"],"prefix":"10.1107","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0543-3564","authenticated-orcid":true,"given":"Joey","family":"Nelson","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2021,5,28]]},"reference":[{"key":"ok5042_bb1","doi-asserted-by":"crossref","first-page":"332","DOI":"10.1002\/xrs.1272","volume":"39","author":"Al-Ebraheem","year":"2010","journal-title":"X-ray Spectrom."},{"key":"ok5042_bb2","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1021\/bk-1990-0416.ch021","volume":"416","author":"Anderson","year":"1990","journal-title":"ACS Symp. 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