Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O

doi:10.1007/s00710-019-00662-2

CORC > 地质与地球物理研究所 > 中国科学院地质与地球物理研究所 > 离退休科研人员

	Structure refinement and hydrogen bonding of ferrinatrite, Na3Fe(SO4)(3).3H(2)O
	Yang, Zhuming 1,2,3; Giester, Gerald 4
刊名	MINERALOGY AND PETROLOGY
	2019-08-01
卷号	113 期号:4 页码:555-562
关键词	Ferrinatrite Hydrated sulfate Crystal structure Hydrogen-bonding system
ISSN号	0930-0708
DOI	10.1007/s00710-019-00662-2
英文摘要	The 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.
资助项目	National Natural Science Foundation of China[41272063]
WOS关键词	CRYSTAL-STRUCTURE ; SULFATE MINERALS ; DEPOSIT ; SIDERONATRITE ; SPECTROSCOPY ; CHEMISTRY ; POLYTYPE ; VALENCE
WOS研究方向	Geochemistry & Geophysics ; Mineralogy
语种	英语
出版者	SPRINGER WIEN
WOS记录号	WOS:000475666800009
资助机构	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 ; National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/92950]
专题	地质与地球物理研究所_离退休科研人员
通讯作者	Giester, Gerald
作者单位	1.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
推荐引用方式 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.