Crystal structure refinement and crystal chemistry of parasymplesite and vivianite

Asbecasite: crystal structure refinement and crystal chemistry

The crystal structure of antimonian asbecasite in an ejectum of hypabyssal origin occurring at Tre Croci near Vetralla, Vico volcanic complex, Roman potassic province, Latium, Italy, has been refined to R = 0.042, and is compared to the original crystal structure determination carried out on the Sb-free asbecasite of hydrothermal metamorphic origin from the type-locality, Cherbandung in Binna v...

The crystal chemistry of the amphiboles II Refinement of the crystal structure of oxy-kaersutite

Three-dimensional counter-diffractometer data corrected for absorption and a full matrix least-squares method have been used to refine the crystal structure of an oxy-kaersutite in the on oal om os t on of 9t ~176 Oa.10 T10.~15Mn0.009A10.a~GS15.s~sA12.1220~(O )2 wlth cell and 3 lO5"388(5) ~ Cation site occupancies were refined using bulk chemical constraints and the A-site positionally disorder...

Crystal structure refinement of matlockite

Crystal structure refinement with SHELXL

The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as `a CIF') containing embedded reflection ...

SYNTHESIS AND CRYSTAL STRUCTURE OF [PPh ] [WOS (CUNCS) ]

The reaction of [PPhJ, NOS,] with CuCl and KSCN (1 :3:3) in acetone produces the yell-ow crystals of [PPh,], [WOS,(CuNCS),]. The crystals are triclinic, space group P1(2), z=2, a=12.4823(7), b=12.9224(7), c=18.6395(10)?, ?=83.907(5), ?= 73.152(4), Y= 65.194(4)'. The crystal structure was determined by single crystal Xray diffraction methods (Mo-K ?) and refined by least-squares calculations ...