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Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O
Yang, Zhuming1,2,3; Giester, Gerald4
2019-08-01
Source PublicationMINERALOGY AND PETROLOGY
ISSN0930-0708
Volume113Issue:4Pages:555-562
AbstractThe structure of trigonal ferrinatrite, Na3Fe(SO4)(3).3H(2)O, from the Hongshan Cu-Au deposit, Eastern Tianshan, NW China was refined in space group P3 based on single crystal X-ray diffraction data [a=15 .553(2), c=8.6616(17 ) angstrom, V=1814.4(5) angstrom(3), Z=6; R-1=0.0535]. All hydrogen atoms were located by difference Fourier methods and refined with soft restrictions for distances, but with fixed thermal isotropic displacement parameters. The atomic arrangement in ferrinatrite is based on chains along [001] consisting of isolated FeO6-octahedra corner-linked with sulfate groups. All vertices of octahedra link to tetrahedra, and half the tetrahedron vertices link to octahedra. These chains are linked by interstitial Na-ions and H2O groups. All Na atoms are coordinated to four oxygen atoms of sulfate groups and to two oxygen atoms of H2O molecules within 2.33-2.71 angstrom; next oxygens are at distances of 2.85-3.00 angstrom. Among six hydrogen bonds, three acceptor O-atoms of sulfate groups belong to the nearest octahedral-tetrahedral chains, and three acceptor sulfate O-atoms from the neighboring chains, which further strengthen the linkages between octahedral-tetrahedral chains. The O-HO distances are in the range 2.86-3.13 angstrom. The O-H stretching frequencies derived from structural data are in good consistence with the known Infrared spectra.
KeywordFerrinatrite Hydrated sulfate Crystal structure Hydrogen-bonding system
DOI10.1007/s00710-019-00662-2
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China
WOS KeywordCRYSTAL-STRUCTURE ; SULFATE MINERALS ; DEPOSIT ; SIDERONATRITE ; SPECTROSCOPY ; CHEMISTRY ; POLYTYPE ; VALENCE
Language英语
Funding ProjectNational Natural Science Foundation of China[41272063]
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China
WOS Research AreaGeochemistry & Geophysics ; Mineralogy
WOS SubjectGeochemistry & Geophysics ; Mineralogy
WOS IDWOS:000475666800009
PublisherSPRINGER WIEN
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/92950
Collection离退休科研人员
Corresponding AuthorGiester, Gerald
Affiliation1.Chinese Acad Sci, Inst Geol & Geophys, Beijing 100029, Peoples R China
2.Chinese Acad Sci, Inst Earth Sci, Beijing, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Univ Wien, Inst Mineral & Kristallog, Althanstr 14, A-1090 Vienna, Austria
First Author AffilicationInstitute of Geology and Geophysics, Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Yang, Zhuming,Giester, Gerald. Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O[J]. MINERALOGY AND PETROLOGY,2019,113(4):555-562.
APA Yang, Zhuming,&Giester, Gerald.(2019).Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O.MINERALOGY AND PETROLOGY,113(4),555-562.
MLA Yang, Zhuming,et al."Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O".MINERALOGY AND PETROLOGY 113.4(2019):555-562.
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