NDLI: Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)2(Fe,□)Be2Si2O8(OH,O)2 from Heftetjern pegmatite, Norway.

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Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)2(Fe,□)Be2Si2O8(OH,O)2 from Heftetjern pegmatite, Norway.

Content Provider	Semantic Scholar
Author	Chukanov, Nikita V. Aksenov, Sergey M. Rastsvetaeva, Ramiza K. Kristiansen, Roy Pekov, Igor V. Belakovskiy, Dmitriy I. Van, Konstantin V. Bychkova, Yana V. Britvin, Sergey N.
Copyright Year	2017
Abstract	A hydroxyl-dominant analogue of gadolinite-(Y) (OH-Gad) has been discovered in the Heftetjern granitic pegmatite, southern Norway, in association with late-stage rare-earth-element containing minerals. The empirical formula, based on ten O atoms per formula unit, is (Y1.285Ca0.55Ce0.07La0.04Nd0.01)Σ1.955(Fe2+0.57□0.43)Be2.02Si1.995O8.48(OH)1.52. The mineral is monoclinic, space group P21/c, a = 4.7514 (10), b = 7.5719 (16), c = 9.9414 (2) Å, β = 90.015 (4)°, V = 357.663 (3) Å3 and Z = 2. The density calculated using the empirical formula is 3.903 g cm-3. The crystal structure was refined to R = 0.0217 for 776 reflections with I > 2σ(I). OH-Gad is isostructural with gadolinite-(Y) and it is characterized by the predominance of OH- over O2- at the anionic Ø-site. The refined crystal-chemical formula is: A(Y1.25Ca0.55Ce0.2)X(Fe2+0.57□0.43)ZBe2TSi2O8Ø[(OH)0.86O0.59(OH)*0.55] (Z = 2). The possible orientation and local environment of the hydroxyl group were suggested based on bond-valence sum calculations and geometrical analysis of the crystal structure. The infrared spectrum confirms disordering of H atoms. OH-Gad seems to be a potentially new mineral, the first simultaneously hydroxyl- and iron-dominant member of the gadolinite subgroup. It is an OH-analogue of gadolinite-(Y) and an Fe2+-analogue of hingganite-(Y).
Starting Page	899
Ending Page	906
Page Count	8
File Format	PDF HTM / HTML
DOI	10.1107/S2052520617006588
PubMed reference number	28980995
Journal	Medline
Volume Number	73
Part	5
Alternate Webpage(s)	https://scripts.iucr.org/cgi-bin/sendsupfiles?bp5096=&file=bp5096sup3.pdf&mime=application/pdf
Alternate Webpage(s)	https://doi.org/10.1107/S2052520617006588
Journal	Acta crystallographica Section B, Structural science, crystal engineering and materials
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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