Simultaneous refinement of two components of an exsolution intergrowth: crystal structures of the lindstromite-krupkaite pair
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Simultaneous refinement of two components of an exsolution intergrowth : crystal structures of the lindstromite-krupkaite pair. / Topa, Dan; Petricek, Vaclav; Dusek, Michal; Makovicky, Emil; Balic Zunic, Tonci.
In: Canadian Mineralogist, Vol. 46, No. 2, 2008, p. 525-539.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Simultaneous refinement of two components of an exsolution intergrowth
T2 - crystal structures of the lindstromite-krupkaite pair
AU - Topa, Dan
AU - Petricek, Vaclav
AU - Dusek, Michal
AU - Makovicky, Emil
AU - Balic Zunic, Tonci
PY - 2008
Y1 - 2008
N2 - Crystal structures of intergrown lindstromite and krupkaite were determined in two distinct samples by a simultaneous crystal-structure refinement using a modified JANA program package. The exsolution intergrowths have a bulk composition, determined by means of electron microprobe, equal to bd(60.1) and bd(64.1), respectively. The subscript indicates a percentage of the aikinite component in this bismuthinite derivative. The crystal Structure of lindstromite contains two aikinite-like ribbons Cu2Pb2Bi3S6 and eight krupkaite-like ribbons (ideally CuPbBi3S6) in a unit cell. The latter are oversubstituted; the ideally empty tetrahedral sites associated with them refined to the occupancy values of 0.04-0.09 Cu and 0.14-0.18 Cu, respectively, for the two above bulk compositions. The refined phase-compositions are Cu6.26Pb6.26Bi13.74S30 (bd(62.6)) associated with CuPbBi3S6 (bd(50)) for the sample 'bd(60)' and Cu6.64Pb6.64Bi13.36S30 (bd(66.4)) associated with oversubstituted krupkaite, the composition of which could not been refined, for the sample 'bd(64)'. From stoichiometry calculations, the latter is similar to bd(60). Both latter values may be somewhat overestimated as a result of cross-correlations between the two closely related structures during the refinement.
AB - Crystal structures of intergrown lindstromite and krupkaite were determined in two distinct samples by a simultaneous crystal-structure refinement using a modified JANA program package. The exsolution intergrowths have a bulk composition, determined by means of electron microprobe, equal to bd(60.1) and bd(64.1), respectively. The subscript indicates a percentage of the aikinite component in this bismuthinite derivative. The crystal Structure of lindstromite contains two aikinite-like ribbons Cu2Pb2Bi3S6 and eight krupkaite-like ribbons (ideally CuPbBi3S6) in a unit cell. The latter are oversubstituted; the ideally empty tetrahedral sites associated with them refined to the occupancy values of 0.04-0.09 Cu and 0.14-0.18 Cu, respectively, for the two above bulk compositions. The refined phase-compositions are Cu6.26Pb6.26Bi13.74S30 (bd(62.6)) associated with CuPbBi3S6 (bd(50)) for the sample 'bd(60)' and Cu6.64Pb6.64Bi13.36S30 (bd(66.4)) associated with oversubstituted krupkaite, the composition of which could not been refined, for the sample 'bd(64)'. From stoichiometry calculations, the latter is similar to bd(60). Both latter values may be somewhat overestimated as a result of cross-correlations between the two closely related structures during the refinement.
KW - Faculty of Science
KW - lindstromite
KW - oversubstitution; bismuthinite-aikinite series
KW - Simultaneous structure refinement
KW - crystal structure
KW - krupkaite
U2 - 10.3749/canmin.46.2.525
DO - 10.3749/canmin.46.2.525
M3 - Journal article
VL - 46
SP - 525
EP - 539
JO - Canadian Mineralogist
JF - Canadian Mineralogist
SN - 0008-4476
IS - 2
ER -
ID: 8805085