guest ::
| Home > Publications database > H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study > print |
| Home > Publications database > H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study > print |
| 001 | 281806 | ||
| 005 | 20210129222010.0 | ||
| 024 | 7 | _ | |a 10.1007/s00269-015-0798-x |2 doi |
| 024 | 7 | _ | |a 0342-1791 |2 ISSN |
| 024 | 7 | _ | |a 1432-2021 |2 ISSN |
| 024 | 7 | _ | |a 2128/10765 |2 Handle |
| 024 | 7 | _ | |a WOS:000377459200003 |2 WOS |
| 037 | _ | _ | |a FZJ-2016-01473 |
| 082 | _ | _ | |a 550 |
| 100 | 1 | _ | |a Gatta, G. Diego |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 245 | _ | _ | |a H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study |
| 260 | _ | _ | |a Berlin |c 2016 |b Springer |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1462947201_5391 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a The crystal chemistry of a ferroaxinite from Colebrook Hill, Rosebery district, Tasmania, Australia, was investigated by electron microprobe analysis in wavelength-dispersive mode, inductively coupled plasma–atomic emission spectroscopy (ICP–AES), 57Fe Mössbauer spectroscopy and single-crystal neutron diffraction at 293K. The chemical formula obtained on the basis of the ICP–AES data is the following: X1,X2^Ca4.03 Y^(Mn0.42Mg0.23Fe2+1.39)_Σ2.04 Z1,Z2^(Fe3+0.15Al3.55Ti0.12)_Σ3.82 T1,T2,T3,T4^(Ti0.03Si7.97)_Σ8 T5^B1.96O30(OH)_2.18.The 57Fe Mössbauer spectrum shows unambiguously the occurrence of Fe2+ and Fe3+ in octahedral coordination only, with Fe2+/Fe3+=9:1. The neutron structure refinement provides a structure model in general agreement with the previous experimental findings: the tetrahedral T1, T2, T3 and T4 sites are fully occupied by Si, whereas the T5 site is fully occupied by B, with no evidence of Si at the T5, or Al or Fe3+ at the T1–T5 sites. The structural and chemical data of this study suggest that the amount of B in ferroaxinite is that expected from the ideal stoichiometry: 2 a.p.f.u. (for 32 O). The atomic distribution among the X1, X2, Y, Z1 and Z2 sites obtained by neutron structure refinement is in good agreement with that based on the ICP–AES data. For the first time, an unambiguous localization of the H site is obtained, which forms a hydroxyl group with the oxygen atom at the O16 site as donor. The H-bonding scheme in axinite structure is now fully described: the O16–H distance (corrected for riding motion effect) is 0.991(1)Å and an asymmetric bifurcated bonding configuration occurs, with O5 and O13 as acceptors [i.e. with O16···O5=3.096(1)Å, H···O5=2.450(1)Å and O16–H···O5=123.9(1)°; O16···O13=2.777(1)Å, H···O13=1.914(1)Å and O16–H···O13=146.9(1)°]. |
| 536 | _ | _ | |a 6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623) |0 G:(DE-HGF)POF3-6G4 |c POF3-623 |f POF III |x 0 |
| 536 | _ | _ | |0 G:(DE-HGF)POF3-6G15 |f POF III |x 1 |c POF3-6G15 |a 6G15 - FRM II / MLZ (POF3-6G15) |
| 588 | _ | _ | |a Dataset connected to CrossRef |
| 650 | 2 | 7 | |a Crystallography |0 V:(DE-MLZ)SciArea-240 |2 V:(DE-HGF) |x 0 |
| 650 | 2 | 7 | |a Chemistry |0 V:(DE-MLZ)SciArea-110 |2 V:(DE-HGF) |x 1 |
| 650 | 2 | 7 | |a Geosciences |0 V:(DE-MLZ)SciArea-140 |2 V:(DE-HGF) |x 2 |
| 650 | 1 | 7 | |a Earth, Environment and Cultural Heritage |0 V:(DE-MLZ)GC-170-2016 |2 V:(DE-HGF) |x 1 |
| 650 | 1 | 7 | |a Earth, Environment and Cultural Heritage |0 V:(DE-MLZ)GC-170 |2 V:(DE-HGF) |x 0 |
| 693 | _ | _ | |a Forschungs-Neutronenquelle Heinz Maier-Leibnitz |e HEiDi: Single crystal diffractometer on hot source |f SR9b |1 EXP:(DE-MLZ)FRMII-20140101 |0 EXP:(DE-MLZ)HEIDI-20140101 |5 EXP:(DE-MLZ)HEIDI-20140101 |6 EXP:(DE-MLZ)SR9b-20140101 |x 0 |
| 700 | 1 | _ | |a Redhammer, Günther J. |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Guastoni, Alessandro |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Guastella, Giorgio |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Meven, Martin |0 P:(DE-Juel1)164297 |b 4 |u fzj |
| 700 | 1 | _ | |a Pavese, Alessandro |0 P:(DE-HGF)0 |b 5 |
| 770 | _ | _ | |z 0342-1791 |
| 773 | _ | _ | |a 10.1007/s00269-015-0798-x |0 PERI:(DE-600)1463021-7 |n 5 |p 341-352 |t Physics and chemistry of minerals |v 43 |y 2016 |x 1432-2021 |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.pdf |
| 856 | 4 | _ | |y OpenAccess |x icon |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.gif?subformat=icon |
| 856 | 4 | _ | |y OpenAccess |x icon-1440 |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.jpg?subformat=icon-1440 |
| 856 | 4 | _ | |y OpenAccess |x icon-180 |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.jpg?subformat=icon-180 |
| 856 | 4 | _ | |y OpenAccess |x icon-640 |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.jpg?subformat=icon-640 |
| 856 | 4 | _ | |y OpenAccess |x pdfa |u https://juser.fz-juelich.de/record/281806/files/meven_Gatta_Axinite_R1.pdf?subformat=pdfa |
| 909 | C | O | |o oai:juser.fz-juelich.de:281806 |p openaire |p VDB:MLZ |p driver |p open_access |p VDB |p dnbdelivery |
| 910 | 1 | _ | |a Forschungszentrum Jülich GmbH |0 I:(DE-588b)5008462-8 |k FZJ |b 4 |6 P:(DE-Juel1)164297 |
| 913 | 1 | _ | |a DE-HGF |b Forschungsbereich Materie |l Von Materie zu Materialien und Leben |1 G:(DE-HGF)POF3-620 |0 G:(DE-HGF)POF3-623 |2 G:(DE-HGF)POF3-600 |v Facility topic: Neutrons for Research on Condensed Matter |9 G:(DE-HGF)POF3-6G4 |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |
| 913 | 1 | _ | |a DE-HGF |9 G:(DE-HGF)POF3-6G15 |x 1 |4 G:(DE-HGF)POF |v FRM II / MLZ |1 G:(DE-HGF)POF3-6G0 |0 G:(DE-HGF)POF3-6G15 |3 G:(DE-HGF)POF3 |2 G:(DE-HGF)POF3-600 |b Forschungsbereich Materie |l Großgeräte: Materie |
| 914 | 1 | _ | |y 2016 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0200 |2 StatID |b SCOPUS |
| 915 | _ | _ | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |b PHYS CHEM MINER : 2014 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0110 |2 StatID |b Science Citation Index |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0111 |2 StatID |b Science Citation Index Expanded |
| 915 | _ | _ | |a IF < 5 |0 StatID:(DE-HGF)9900 |2 StatID |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)1150 |2 StatID |b Current Contents - Physical, Chemical and Earth Sciences |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |
| 915 | _ | _ | |a Nationallizenz |0 StatID:(DE-HGF)0420 |2 StatID |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Thomson Reuters Master Journal List |
| 920 | _ | _ | |l yes |
| 920 | 1 | _ | |0 I:(DE-Juel1)JCNS-FRM-II-20110218 |k JCNS (München) ; Jülich Centre for Neutron Science JCNS (München) ; JCNS-FRM-II |l JCNS-FRM-II |x 0 |
| 920 | 1 | _ | |0 I:(DE-Juel1)JCNS-2-20110106 |k JCNS-2 |l Streumethoden |x 1 |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a I:(DE-Juel1)JCNS-FRM-II-20110218 |
| 980 | _ | _ | |a I:(DE-Juel1)JCNS-2-20110106 |
| 980 | 1 | _ | |a UNRESTRICTED |
| 980 | 1 | _ | |a FullTexts |
| 981 | _ | _ | |a I:(DE-Juel1)JCNS-2-20110106 |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|