Giustetto R, Levy D, Wahyudi O, Ricchiardi G, Vitillo J G
European Journal of Mineralogy 23 (2011) 449-466
Crystal structure refinement of a sepiolite/indigo Maya Blue pigment
using molecular modelling and synchrotron diffraction
Locality: Germany
_database_code_amcsd 0018363
13.395 27.016 5.2765 90 90 90 Pncn
atom x y z occ Uiso
Mg1 0 .029 .25 .029
Mg2 0 .084 .75 .029
Mg3 0 .1459 .25 .029
Mg4 0 .204 .75 .029
Si1 .200 .0274 .591 .011
Si2 .211 .1407 .577 .011
Si3 .204 .1948 .062 .011
O1 .076 .030 .602 .014
OH2 .076 .089 .055 .014
O3 .090 .1453 .555 .014
O4 .078 .193 .067 .014
O5 .248 .0026 .333 .014
O6 .244 .0833 .600 .014
O7 .243 .165 .308 .014
O8 .255 .172 .806 .014
O9 .25 .25 .076 .014
Wat10 .106 .2527 .581 .98 .026
Wat11 .563 -.102 .032 .73 .08
Wat12 .5 .186 .25 .92 .08
Wat13 .5 .040 .25 .96 .08
Wat14 .53 .168 .66 .26 .08
Locality: synthetic
Note: Sepiolite with indigo forming Maya Blue
_database_code_amcsd 0018364
13.271 27.072 5.2748 90 90 90 Pncn
Mg1 .0 .0313 .25 .0167
Mg2 .0 .0787 .75 .0167
Mg3 .0 .1435 .25 .0167
Mg4 .0 .2065 .75 .0167
O1 .0796 .0296 .583 .0125
O2 .0989 .0803 .095 .0125
O3 .0828 .1406 .581 .0125
Si1 .1990 .0299 .5865 .0118
Si2 .2037 .1411 .5715 .0118
Si3 .2222 .19390 .0603 .0118
O4 .1015 .1940 .080 .0125
O5 .2385 .0030 .3268 .0125
O6 .2461 .0851 .563 .0125
O7 .2561 .1698 .3299 .0125
O8 .2631 .1739 .7856 .0125
O9 .25 .25 .124 .0125
Wat10 .0768 .2536 .590 .985 .0261
Wat11 .6081 -.1266 -.451 .56 .0400
Wat13 .5 .1808 .25 .43 .0400
C1 -.003 .4074 .305 .0677 .0184
C2 -.011 .4503 .103 .0339 .0184
C3 -.014 .4210 -.137 .0677 .0184
C4 -.021 .4368 -.394 .0677 .0184
C5 -.022 .4012 -.585 .0677 .0184
N -.001 .3606 .185 .0339 .0184
Oin -.014 .4957 .123 .0339 .0184
C2' .000 .3532 .191 .0339 .0184
C3' -.008 .3643 -.086 .0677 .0184
C4' -.010 .3320 -.298 .0677 .0184
C5' -.017 .3524 -.540 .0677 .0184
N' -.010 .4429 .110 .0339 .0184
Oin' .005 .3121 .291 .0339 .0184
C1' .003 .4168 .573 .0677 .0184
C2'' .001 .4709 .687 .0339 .0184
C3'' .008 .4598 .964 .0677 .0184
C4'' .010 .4921 1.176 .0677 .0184
C5'' .017 .4718 1.419 .0677 .0184
N'' .010 .3812 .769 .0339 .0184
Oin'' -.005 .5120 .587 .0339 .0184
C2''' .011 .3738 .776 .0339 .0184
C3''' .014 .4031 1.016 .0677 .0184
C4''' .021 .3874 1.272 .0677 .0184
C5''' .022 .4230 1.463 .0677 .0184
N''' .001 .4635 .693 .0339 .0184
Oin''' .014 .3285 .755 .0339 .0184
Wat15 -.087 .6213 .107 .57 .0400
Wat16 .173 .4281 .120 .19 .0400
Wat18 .1176 .5268 .167 .22 .0400
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Total number of retrieved datasets: 2 View in amc, download in amc
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