American Mineralogist Crystal Structure Database

4 matching records for this search.

Kanemite
Download hom/kanemite.pdf
Garvie L A J, Devouard B, Groy T L, Camara F, Buseck P R
Download am/vol84/AM84_1170.pdf
American Mineralogist 84 (1999) 1170-1175
Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia
_database_code_amcsd 0002274
4.946 20.502 7.275 90 90 90 Pbcn
atom      x     y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si    .0497 .2925  .0391       .0010  .0018  .0011  .0000  .0001  .0002
Na       .5 .5115   -.25       .0034  .0029  .0025      0  .0000      0
O1        0 .3128    .25       .0033  .0042  .0014      0  .0004      0
O2    .0042 .3571 -.0790       .0031  .0023  .0014  .0003  .0000  .0003
O3   -.1438 .2326 -.0181       .0011  .0025  .0043 -.0008 -.0001 -.0001
O4    .4876 .5754  .0267       .0037  .0023  .0039 -.0002  .0001 -.0001
O5        0 .5411   -.25       .0029  .0060  .0111      0  .0003      0
H2A   .0193 .3795 -.1989 .036
H4A   .6450 .4020 -.0510 .065
H4B   .3640 .4060 -.0430 .085
H5A   .0067 .5071 -.3347 .170
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Tuperssuatsiaite
Download hom/tuperssuatsiaite.pdf
Camara F, Garvie L A J, Devouard B, Groy T L, Buseck P R
Download am/vol87/AM87_1458.pdf
American Mineralogist 87 (2002) 1458-1463
The structure of Mn-tuperssuatsiaite, a palygorskite-related mineral
_database_code_amcsd 0002916
14.034 17.841 5.265 90 103.67 90 C2/m
atom     x     y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .2974 .4158  .0366     .016   .019   .013   .016  -.003   .006      0
Si2  .2962 .3327  .5301     .017   .022   .016   .013  -.005   .005  -.001
FeM1    .5    .5      0 .43 .014   .021   .011   .013      0   .007      0
MnM1    .5    .5      0 .57 .014   .021   .011   .013      0   .007      0
FeM2    .5 .4095     .5 .33 .015   .015   .018   .013      0   .003      0
MnM2    .5 .4095     .5 .67 .015   .015   .018   .013      0   .003      0
NaM3    .5 .2970      0 .94 .029   .030   .032   .021      0  -.002      0
O1   .4154 .4164  .1216     .017   .019   .017   .017  -.001   .009  -.002
O2   .4120 .3333  .5920     .022   .025   .026   .016   .001   .008  -.001
O3     .25   .25     .5     .031   .046   .019   .030  -.013   .013      0
OH4  .5699    .5  .3767     .020   .027   .015   .018      0   .006      0
O5   .2539    .5 -.0055     .022   .021   .013   .031      0   .002      0
O6   .2515 .3766  .2581     .021   .018   .027   .021      0   .009   .002
O7   .2563 .3716  .7655     .023   .021   .023   .025  -.006   .007  -.004
Wat8 .4291 .2048  .2070     .103   .095   .112   .115  -.060   .051  -.027
O9   .5560     0  .2900     .500
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Lizardite
Download hom/lizardite.pdf
Auzende A L, Pellenq R J M, Devouard B, Baronnet A, Grauby O
 
Physics and Chemistry of Minerals 33 (2006) 266-275
Atomistic calculations of structural and elastic properties
of serpentine minerals: the case of lizardite
Note: 1T polytype
Note: Hypothetical structure derived
using semi-empirical potentials
_database_code_amcsd 0009030
5.434 5.434 7.153 90 90 120 P1
atom       x       y       z occ
Mg5  .326618 .999948 .442053
Mg6  .990738 .335829 .442052
Mg7  .654847 .664057 .442052
Si17 .324068 .666612 .063936
Si18 .657401 .333278 .063936
O8   .324068 .666612 .287454  .5
O9   .657401 .333278 .287454  .5
O10  .489887 .999945 .987327  .5
O11  .990735 .499097 .987326  .5
O12  .491582 .500792 .987326  .5
O19  .324068 .666611 .270587  .5
O20  .657401 .333279 .270587  .5
O21  .490254 .999946 .000822  .5
O22  .990735 .499465 .000823  .5
O23  .491213 .500424 .000823  .5
Oh13 .658679 .999945 .601383  .5
Oh14 .990735 .667889 .601389  .5
Oh15 .322789 .332000 .601389  .5
Oh16 .990734 .999945 .261445  .5
Oh24 .658484 .999946 .592063  .5
Oh25 .990736 .667694 .592072  .5
Oh26 .322984 .332194 .592072  .5
Oh27 .990735 .999945 .268871  .5
H1   .658317 .999945 .725929
H2   .990734 .667527 .725942
H3   .323152 .332362 .725942
H4   .990734 .999945 .135283
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Sazhinite-(La)
 
Camara F, Ottolini L, Devouard B, Garvie L A J, Hawthorne F C
 
Mineralogical Magazine 70 (2006) 405-418
Sazhinite-(La), Na3LaSi6O15(H2O)2, a new mineral from the
Aris phonolite, Nambia: description and crystal structure
Locality: Aris phonolite, Nambia
_database_code_amcsd 0014578
7.415 15.515 7.164 90 90 90 Pmm2
atom      x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      .5 .2550 .0622     .036   .018   .038   .051  -.022      0      0
Na2   .2209    .5 .9298     .068   .055   .112   .037      0  -.024      0
Na3   .2585 .0745 .2553  .5 .037
LaM       0 .2602  .049 .41 .007   .009   .007   .006  -.001      0      0
CeM       0 .2602  .049 .35 .007   .009   .007   .006  -.001      0      0
NdM       0 .2602  .049 .04 .007   .009   .007   .006  -.001      0      0
PrM       0 .2602  .049 .02 .007   .009   .007   .006  -.001      0      0
ThM       0 .2602  .049 .09 .007   .009   .007   .006  -.001      0      0
CaM       0 .2602  .049 .08 .007   .009   .007   .006  -.001      0      0
Si1   .2923 .0988 .7992 .99 .007   .006   .007   .007  -.001  -.001   .002
S1    .2923 .0988 .7992 .01 .007   .006   .007   .007  -.001  -.001   .002
Si2   .2937 .4018 .3404 .99 .011   .007   .009   .015  -.001  -.001  -.002
S2    .2937 .4018 .3404 .01 .011   .007   .009   .015  -.001  -.001  -.002
Si3       0 .1661 .5415 .99 .007   .006   .008   .007      0      0      0
S3        0 .1661 .5415 .01 .007   .006   .008   .007      0      0      0
Si4       0 .3609 .6395 .99 .008   .008   .009   .007   .002      0      0
S4        0 .3609 .6395 .01 .008   .008   .009   .007   .002      0      0
O1    .2614     0 .8691     .014   .015   .012   .015      0   .003      0
O2    .2477 .3357 .1810     .029   .027   .019   .042  -.015  -.007  -.004
O3    .2428 .1635 .9606     .015   .015   .015   .014  -.007  -.001   .003
O4    .1769 .1128 .6089     .016   .014   .019   .015  -.002  -.005   .008
O5    .1768 .3915 .5307     .029   .017   .035   .036   .012   .016  -.006
O6    .2648    .5 .2635     .016   .022   .009   .017      0  -.002      0
O7        0 .1760 .3234     .014   .023   .016   .004   .003      0      0
O8        0 .2556 .6594     .017   .027   .008   .017  -.001      0      0
O9        0 .3932 .8484     .028   .057   .017   .009  -.002      0      0
O10      .5 .1084 .7316     .014   .001   .016   .026   .005      0      0
O11      .5 .3936 .4151     .019   .010   .024   .025   .005      0      0
Wat12    .5 .3873 .8318     .040
Wat13     0     0 .2010  .5 .066
Wat14 .4210 .1068 .2800  .5 .074
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Total number of retrieved datasets: 4
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