The crystal structure of emmerichite Ba2Na3Fe3+Ti2(Si2O7)(2)O2F2, a new lamprophyllite-group mineralстатья
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Авторы:Aksenov Sergey M.,
Rastsvetaeva Ramiza K.,
Chukanov Nikita V.
Аннотация:Emmerichite Ba2Na3Fe3+Ti2(Si2O7)(2)O2F2, a new mineral of the lamprohyllite group, was found in alkaline basalts at the mountain Rother Kopf, near Gerolstein, Eifel Mountains (Rheinland-Pfalz, Germany) in association with nepheline, leucite, augite, phlogopite, fluorapatite, gotzenite, akermanite, gunterblassite, magnetite and perovskite. The crystal structure has been studied by single-crystal X-ray diffraction data. Monoclinic unit-cell parameters are: a = 19.9601(3) angstrom, b = 7.0989(1) angstrom, c = 5.4074(1) angstrom, beta = 96.367(1)degrees, space group C2/m. Structure model was determined by charge flipping method and refined to R = 4.57% in anisotropic approximation using 4400 F > 4 sigma F. The structure of emmerichite is similar to that of other members of the lamprophyllite group and is based on the HOH-modules. The main structural and chemical feature of emmerichite is the predominance of Fe3+ in the octahedral M3 site. Thus, it is the first Fe3+-dominant titanium member of the lamprophyllite group.