Rius J, Elkaim E, Torrelles X
European Journal of Mineralogy 16 (2004) 127-134
Structure determination of the blue mineral pigment aerinite from
synchrotron powder diffraction data: The solution of an old riddle
Locality: Camporrells-Estopanya area, Huesca, Spain
16.8820 16.8820 5.2251 90 90 120 P3c1
atom x y z occ
Ca .3381 .3410 .4937 .84
Na .3381 .3410 .4937 .08
Fe2+A 0 0 .0484 .43
Fe3+A 0 0 .0484 .25
AlA 0 0 .0484 .25
MgA 0 0 .0484 .07
Fe2+B 1/3 2/3 .8697 .43
Fe3+B 1/3 2/3 .8697 .25
AlB 1/3 2/3 .8697 .25
MgB 1/3 2/3 .8697 .07
Al .2114 .3332 .9785 .85
Mg .2114 .3332 .9785 .12
SiA .2030 .1479 .8053
SiB .3938 .5207 .1307
O1A .0921 .0956 .8023
O2A .2486 .2541 .8553
O3A .2367 .1324 .5254
O1B .3363 .5744 .1194
O2B .3281 .4108 .1214
O3B .4425 .5349 .4078
O4 .5773 .2843 .224 .59
OHA .1795 .2695 .3127
OHB .2406 .3994 .6543
C 2/3 1/3 .224 .59
WatA .4195 .2899 .2173 1.25
WatB .4823 .3795 .6918 1.25
Rius J, Crespi A, Roig A, Melgarejo J C
European Journal of Mineralogy 21 (2009) 233-240
Crystal structure refinement of Fe3+-rich aerinite
from synchrotron powder diffraction and Mossbauer data
Locality: Tartareu, Catalunya, Spain
16.91611 16.91611 5.22886 90 90 120 P3c1
atom x y z occ Biso
CaM3 .3325 .3383 .4937 .7301 1.4
FeM1a 0 0 .0354 1.5
FeM1b 1/3 2/3 .8455 .8028 1.5
AlM2 .2134 .3336 .9708 1.8
SiTa .2045 .1479 .7974 1.5
SiTb .3919 .5207 .1191 1.5
O1a .0912 .0890 .7854 4.5
O2a .2434 .2522 .8297 1.5
O3a .2371 .1300 .5176 1.5
O1b .3357 .5772 .0955 1.6
O2b .3346 .4131 .1009 1.5
O3b .4432 .5385 .3890 1.5
O4a .1714 .2688 .2980 1.9
O4b .2385 .3973 .6627 1.9
O5 .4959 .3863 .7212 1.25 10.1
O6 .4013 .2979 .2055 1.063 9.6
O7 .5776 .2879 .1651 .50 6.1
CA 2/3 1/3 .1278 .72 1.5
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Total number of retrieved datasets: 2 View in amc, download in amc
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