American Mineralogist Crystal Structure Database

22 matching records for this search.

Lizardite
Download hom/lizardite.pdf
Mellini M
Download am/vol67/AM67_587.pdf
American Mineralogist 67 (1982) 587-598
The crystal structure of lizardite 1T: hydrogen bonds and polytypism
_database_code_amcsd 0000867
5.332 5.332 7.233 90 90 120 P31m
atom     x   y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si     1/3 2/3  .0766      0.0050 0.0050 0.0116      0      0 0.0025
Mg   .3327   0  .4596      0.0032 0.0032 0.0122      0 0.0007 0.0016
O1     1/3 2/3  .3000      0.0096 0.0096 0.0068      0      0 0.0048
O2   .5087   0 -.0036      0.0130 0.0130 0.0136      0 0.0048 0.0065
Oh3  .6654   0  .5935      0.0095 0.0095 0.0091      0 -.0003 0.0048
Oh4      0   0  .3088      0.0058 0.0058 0.0161      0      0 0.0029
H3   .6550   0   .709 .026
H4       0   0   .199 .001
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Lizardite
Download hom/lizardite.pdf
Mellini M, Zanazzi P F
Download am/vol72/AM72_943.pdf
American Mineralogist 72 (1987) 943-948
Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
Sample: Lizardite-2H1
Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints
_database_code_amcsd 0001113
5.318 5.318 14.541 90 90 120 P6_3cm
atom     x   y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si     1/3 2/3   .036       .0053  .0053  .0072 .00265      0      0
Mg   .3324   0  .2266       .0058  .0056  .0121  .0028  .0004      0
O1     1/3 2/3  .1462       .0062  .0062  .0083  .0031      0      0
O2   .4838   0 -.0047       .0090  .0075  .0137 .00375  .0039      0
O3   .6657   0  .2934       .0091  .0077  .0111 .00385  .0017      0
O4       0   0  .1502       .0084  .0084  .0088  .0042      0      0
H3    .620   0   .365 .048
H4       0   0   .081 .030
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Lizardite
Download hom/lizardite.pdf
Mellini M, Zanazzi P F
Download am/vol72/AM72_943.pdf
American Mineralogist 72 (1987) 943-948
Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
Sample: Lizardite-1T
Note: U(1,2) for Mg/O3 altered to match symmetry constraints.
Note: Thermal ellipsoid for O1 is non-positive definite
_database_code_amcsd 0001114
5.325 5.325 7.259 90 90 120 P31m
atom     x   y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si     1/3 2/3  .0748       .0006  .0006  .0234  .0003      0      0
Mg   .3322   0  .4557       .0028  .0031  .0242 .00155  .0026      0
O1     1/3 2/3   .292      -.0060 -.0060  .0405 -.0030      0      0
O2   .5045   0 -.0082       .0147  .0076  .0147  .0038 -.0045      0
O3   .6655   0  .5899       .0109  .0127  .0257 .00635  .0028      0
O4       0   0  .3080       .0084  .0084  .0108  .0042      0      0
H3    .580   0   .738 .022
H4       0   0   .200 .023
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Lizardite
Download hom/lizardite.pdf
Mellini M, Viti C
Download am/vol79/AM79_1194.pdf
American Mineralogist 79 (1994) 1194-1198
Crystal structure of lizardite-1T from Elba, Italy
Sample: MFN3-1
Note: U(1,2) for Mg and O2 have been changed to match symmetry constraints.
_database_code_amcsd 0001690
5.330 5.330 7.269 90 90 120 P31m
atom     x   y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si     1/3 2/3  .0704       .0118  .0118  .0153  .0059      0      0
Mg   .3324   0  .4516       .0127  .0125  .0201 .00625 -.0005      0
O1     1/3 2/3  .2920       .0134  .0134  .0134  .0067      0      0
O2   .5067   0 -.0111       .0218  .0155  .0175 .00775  .0004      0
O3   .6658   0  .5862       .0145  .0152  .0162  .0076 -.0003      0
O4       0   0  .2990       .0146  .0146  .0159  .0073      0      0
H1    .660   0   .710  .05
H2       0   0   .200  .05
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Lizardite
Download hom/lizardite.pdf
Mellini M, Viti C
Download am/vol79/AM79_1194.pdf
American Mineralogist 79 (1994) 1194-1198
Crystal structure of lizardite-1T from Elba, Italy
Sample: MFN3-6
Note: U(1,2) for Si, O2 and O4 have been changed to match symmetry constraints.
_database_code_amcsd 0001691
5.338 5.338 7.257 90 90 120 P31m
atom     x   y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si     1/3 2/3  .0699       .0101  .0101  .0071 .00505      0      0
Mg   .3326   0  .4513       .0099  .0096  .0110  .0048  .0000      0
O1     1/3 2/3  .2920       .0116  .0116  .0044  .0058      0      0
O2   .5071   0 -.0099       .0239  .0167  .0093 .00835  .0009      0
O3   .6662   0  .5869       .0128  .0120  .0073  .0060  .0002      0
O4       0   0  .2990       .0132  .0132  .0057  .0066      0      0
H1    .660   0   .710  .05
H2       0   0   .200  .05
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Lizardite-1T
 
Gregorkiewitz M, Lebech B, Mellini M, Viti C
Download am/vol81/AM81_1111.pdf
American Mineralogist 81 (1996) 1111-1116
Hydrogen positions and thermal expansion in lizardite-1T from Elba: A
low-temperature study using Rietveld refinement of neutron diffraction data
T = 8 K
_database_code_amcsd 0001834
5.3267 5.3267 7.2539 90 90 120 P31m
atom    x    y     z Uiso
Si    1/3  2/3  .070 .020
Mg   .324    0  .447 .020
H3   .646    0  .715 .078
H4   .046 .046  .172 .078
O1    1/3  2/3  .292 .002
O2   .507    0 -.014 .088
O3   .665    0  .587 .002
O4      0    0  .291 .002
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Lizardite-2H2
 
Brigatti M F, Galli E, Medici L, Poppi L
Download am/vol82/AM82_931.pdf
American Mineralogist 82 (1997) 931-935
Crystal structure refinement of aluminian lizardite-2H2
_database_code_amcsd 0001942
5.334 5.334 14.370 90 90 120 P6_3
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Si1      0     0 .1303 .71      .01160 .01160 .00194 .00586       0       0
Al1      0     0 .1303 .29      .01160 .01160 .00194 .00586       0       0
Si2    2/3   1/3 .1285 .71      .00890 .00890 .00133 .00445       0       0
Al2    2/3   1/3 .1285 .29      .00890 .00890 .00133 .00445       0       0
Mg   .6695 .0020 .3215 .78      .01101 .01347 .00190 .00902 -.00004 -.00072
Fe   .6695 .0020 .3215 .04      .01101 .01347 .00190 .00902 -.00004 -.00072
Al   .6695 .0020 .3215 .18      .01101 .01347 .00190 .00902 -.00004 -.00072
H4      .3   .04  .459      3.2
H5     1/3   2/3  .179      3.8
O1       0     0 .2412          .01523 .01523 .00472 .00773       0       0
O2     2/3   1/3 .2471          .02695 .02695 .00315 .01406       0       0
O3   .7829 .1179 .0899          .02695 .03280 .00315 .01757 -.00113 -.00301
O4   .3356 .0038 .3916          .01757 .02460 .00242 .00586  .00034 -.00339
O5     1/3   2/3 .2469          .01406 .01406 .00097 .00703       0       0
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Lizardite-1T
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 20 C
_database_code_amcsd 0005583
5.326 5.326 7.288 90 90 120 P31m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .3318     0  .455   .003   .003   .022  .0015  -.002      0
Si     1/3   2/3  .074  .0065  .0065   .026 .00325      0      0
H1    .583     0  .732
H2       0     0  .197
O1     1/3   2/3 .2911   .003   .003   .036  .0015      0      0
O2    .507     0 -.008   .014   .007   .021  .0035  -.002      0
O3    .664     0  .588   .009   .008   .022   .004  -.002      0
O4       0     0  .304   .008   .008   .013   .004      0      0
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Lizardite-1T
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 360 C
_database_code_amcsd 0005584
5.333 5.333 7.324 90 90 120 P31m
atom     x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .3327   0  .456   .008   .007   .029  .0035  -.001      0
Si     1/3 2/3  .077  .0089  .0089   .034 .00445      0      0
O1     1/3 2/3 .2918   .010   .010   .029  .0050      0      0
O2    .501   0 -.007   .019   .009   .033  .0045  -.001      0
O3    .662   0  .592   .018   .015   .024  .0075  -.000      0
O4       0   0  .303   .020   .020   .026   .010      0      0
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Lizardite-1T
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 480 C
_database_code_amcsd 0005585
5.332 5.332 7.332 90 90 120 P31m
atom     x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .3321   0  .457   .011   .011   .034  .0055 -.0001      0
Si     1/3 2/3  .078  .0126  .0126   .036  .0063      0      0
H1    .572   0  .730
H2       0   0  .190
O1     1/3 2/3 .2914   .015   .015   .030  .0075      0      0
O2    .500   0 -.005   .023   .013   .037  .0065  -.003      0
O3    .664   0  .592   .022   .020   .025   .010   .001      0
O4       0   0  .306   .022   .022   .028   .011      0      0
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Lizardite-2H1
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 20 C
_database_code_amcsd 0005586
5.317 5.317 14.551 90 90 120 P6_3cm
atom     x   y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .3327   0  .2225   .011   .009   .019  .0045  -.001      0
Si     1/3 2/3  .0314  .0087  .0087   .011 .00435      0      0
H1    .622   0   .354
H2       0   0   .075
O1     1/3 2/3  .1406   .010   .010   .024  .0050      0      0
O2    .491   0 -.0070   .020   .020   .028   .010  -.013      0
O3     2/3   0  .2896   .019   .024   .008   .012  -.003      0
O4       0   0  .1470   .016   .016   .013   .008      0      0
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Lizardite-2H1
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 300 C
_database_code_amcsd 0005587
5.336 5.336 14.614 90 90 120 P6_3cm
atom    x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .332   0 .2188   .018   .015   .018  .0075  -.000      0
Si    1/3 2/3 .0292   .013   .013   .012  .0065      0      0
O1    1/3 2/3 .1406   .023   .023   .015  .0115      0      0
O2   .494   0 -.009   .038   .029   .030  .0145  -.014      0
O3    2/3   0 .2859   .024   .025   .031  .0125  -.002      0
O4      0   0  .144   .020   .020   .026   .010      0      0
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Lizardite-2H1
 
Guggenheim S, Zhan W
Download cm/vol36/CM36_1587.pdf
The Canadian Mineralogist 36 (1998) 1587-1594
Effect of temperature on the structures of lizardite-1T and lizardite-2H1
Sample: T = 475 C
_database_code_amcsd 0005588
5.345 5.345 14.662 90 90 120 P6_3cm
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .3319     0  .2243   .018   .017   .028  .0085  -.001      0
Si     1/3   2/3  .0344   .015   .015   .017  .0075      0      0
H1    .621     0   .343
H2       0     0   .068
O1     1/3   2/3  .1437   .021   .021   .020  .0105      0      0
O2    .493     0 -.0023   .036   .027   .031  .0135  -.012      0
O3    .668     0  .2909   .031   .031   .021  .0155   .003      0
O4       0     0   .149   .025   .025   .025  .0125      0      0
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Lizardite
Download hom/lizardite.pdf
Laurora A, Brigatti M F, Malferrari D, Galli E, Rossi A
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from northern
Apennines ophiolites near Modena, Italy
Note: Pompeano 3, polytype 1T
Locality: Pompeano, Modena Apennines, Italy
_database_code_amcsd 0018972
5.3234 5.3234 7.2721 90 90 120 P31m
atom      x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT     1/3 2/3  .0722 .948 .009   .006   .006   .015   .003      0      0
AlT     1/3 2/3  .0722 .052 .009   .006   .006   .015   .003      0      0
AlM   .3322   0  .4532 .035 .009   .007   .007   .015   .003      0      0
Fe2+M .3322   0  .4532 .035 .009   .007   .007   .015   .003      0      0
MgM   .3322   0  .4532 .929 .009   .007   .007   .015   .003      0      0
O1      1/3 2/3  .2912      .008   .008   .008   .009   .004      0      0
O2    .5065   0 -.0100      .014   .015   .009   .016   .004   .001      0
O3    .6656   0  .5854      .010   .010   .010   .009   .005      0      0
O4        0   0  .2984      .010   .008   .008   .013   .004      0      0
H3     .531   0   .681      .047
H4        0   0   .149      .047
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Lizardite
Download hom/lizardite.pdf
Laurora A, Brigatti M F, Malferrari D, Galli E, Rossi A
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from northern
Apennines ophiolites near Modena, Italy
Note: Pompeano 4, polytype 1T
Locality: Pompeano, Modena Apennines, Italy
_database_code_amcsd 0018973
5.3244 5.3244 7.268 90 90 120 P31m
atom       x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT      1/3 2/3  .0718 .943 .009   .005   .005   .018   .003      0      0
AlT      1/3 2/3  .0718 .057 .009   .005   .005   .018   .003      0      0
AlM   .33245   0  .4540 .016 .010   .005   .005   .019   .003      0      0
Fe3+M .33245   0  .4540 .013 .010   .005   .005   .019   .003      0      0
Fe2+M .33245   0  .4540 .047 .010   .005   .005   .019   .003      0      0
MgM   .33245   0  .4540 .898 .010   .005   .005   .019   .003      0      0
O1       1/3 2/3  .2911      .006   .006   .006   .005   .003      0      0
O2     .5064   0 -.0110      .015   .018   .010   .014   .005      0      0
O3     .6659   0  .5850      .009   .010   .010   .007   .005      0      0
O4         0   0  .2974      .007   .008   .008   .007   .004      0      0
H3      .846   0   .592      .047
H4         0   0   .158      .047
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Lizardite
Download hom/lizardite.pdf
Laurora A, Brigatti M F, Malferrari D, Galli E, Rossi A
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from northern
Apennines ophiolites near Modena, Italy
Note: sample Sassomorello, polytype 1T
Locality: Sassomorello, Modena Apennines, Italy
_database_code_amcsd 0018974
5.3230 5.3230 7.270 90 90 120 P31m
atom      x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT     1/3 2/3  .0711 .962 .007   .006   .006   .010   .003      0      0
AlT     1/3 2/3  .0711 .038 .007   .006   .006   .010   .003      0      0
AlM   .3324   0  .4528 .025 .008   .006   .006   .012   .003      0      0
Fe2+M .3324   0  .4528 .058 .008   .006   .006   .012   .003      0      0
MgM   .3324   0  .4528 .915 .008   .006   .006   .012   .003      0      0
O1      1/3 2/3  .2913      .007   .007   .007   .007   .004      0      0
O2    .5067   0 -.0099      .012   .014   .007   .012   .004      0      0
O3    .6657   0  .5861      .009   .009   .009   .008   .004      0      0
O4        0   0  .2983      .009   .008   .008   .010   .004      0      0
H3     .860   0   .582      .087
H4        0   0   .154      .087
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Lizardite
Download hom/lizardite.pdf
Laurora A, Brigatti M F, Malferrari D, Galli E,
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from north
Apennines ophiolites near Modena, Italy
Note: Varana 1, polytype 1T
Locality: Varana, Modena Apennines, Italy
_database_code_amcsd 0018975
5.3259 5.3259 7.2726 90 90 120 P31m
atom      x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT     1/3 2/3  .0758 .944 .007   .005   .005   .011   .003      0      0
AlT     1/3 2/3  .0758 .056 .007   .005   .005   .011   .003      0      0
AlM   .3325   0  .4574 .037 .009   .005   .006   .015   .003      0      0
Fe2+M .3325   0  .4574 .047 .009   .005   .006   .015   .003      0      0
MgM   .3325   0  .4574 .914 .009   .005   .006   .015   .003      0      0
O1      1/3 2/3  .2957      .007   .006   .006   .008   .003      0      0
O2    .5066   0 -.0063      .013   .015   .009   .014   .004      0      0
O3    .6657   0  .5908      .009   .009   .009   .007   .005      0      0
O4        0   0  .3026      .008   .007   .007   .009   .004      0      0
H3     .856   0   .579      .042
H4        0   0   .159      .042
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Lizardite
Download hom/lizardite.pdf
Laurora A, Brigatti M F, Malferrari D, Galli E,
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from north
Apennines ophiolites near Modena, Italy
Note: Varana 2, polytype 1T
Locality: Varana, Modena Apennines, Italy
_database_code_amcsd 0018976
5.3261 5.3261 7.273 90 90 120 P31m
atom      x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT     1/3 2/3  .0768 .941 .009   .006   .006   .016   .003      0      0
AlT     1/3 2/3  .0768 .059 .009   .006   .006   .016   .003      0      0
AlM   .3324   0  .4583 .039 .009   .006   .006   .015   .003      0      0
Fe2+M .3324   0  .4583 .049 .009   .006   .006   .015   .003      0      0
MgM   .3324   0  .4583 .911 .009   .006   .006   .015   .003      0      0
O1      1/3 2/3  .2963      .006   .007   .007   .002   .004      0      0
O2    .5071   0 -.0068      .015   .017   .009   .016   .005      0      0
O3    .6655   0  .5882      .008   .009   .009   .006   .005      0      0
O4        0   0  .3036      .007   .009   .009   .004   .005      0      0
H3     .868   0   .582      .043
H4        0   0   .168      .043
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Lizardite
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Laurora A, Brigatti M F, Malferrari D, Galli E,
 
The Canadian Mineralogist 49 (2011) 1045-1054
The crystal chemistry of lizardite-1T from north
Apennines ophiolites near Modena, Italy
Note: sample Santa Scolastica, polytype 1T
Locality: Santa Scolastica, Modena Apennines, Italy
_database_code_amcsd 0018977
5.3263 5.3263 7.2885 90 90 120 P31m
atom      x   y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT     1/3 2/3  .0764 .952 .007   .006   .006   .008   .003      0      0
AlT     1/3 2/3  .0764 .048 .007   .006   .006   .008   .003      0      0
AlM   .3326   0  .4573 .035 .008   .005   .005   .014   .002  -.001      0
Fe2+M .3326   0  .4573 .113 .008   .005   .005   .014   .002  -.001      0
MgM   .3326   0  .4573 .848 .008   .005   .005   .014   .002  -.001      0
O1      1/3 2/3  .2948      .005   .005   .005   .005   .003      0      0
O2    .5060   0 -.0055      .015   .019   .013   .012   .007      0      0
O3    .6656   0  .5901      .007   .010   .011   .001   .006  -.001      0
O4        0   0  .3010      .006   .007   .007   .003   .004      0      0
H3     .834   0   .644      .049
H4        0   0   .151      .049
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Lizardite
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Mellini M, Zanazzi P F
 
European Journal of Mineralogy 1 (1989) 13-19
Effects of pressure on the structure of lizardite-1T
Sample: at P = 7 kbar
Locality: Coli, Italy
_database_code_amcsd 0006338
5.313 5.313 7.227 90 90 120 P31m
atom    x    y     z occ Uiso
Mg   .334    0  .443 .94 .015
Fe   .334    0  .443 .02 .015
Al   .334    0  .443 .03 .015
Si    1/3  2/3  .067 .97 .004
Al    1/3  2/3  .067 .03 .004
O1    1/3  2/3  .291     .001
O2      0 .505 -.016     .020
O3      0 .666  .585     .010
O4      0    0  .272     .028
H3    .58    0   .69      .04
H4      0    0   .12      .04
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Lizardite
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Mellini M, Zanazzi P F
 
European Journal of Mineralogy 1 (1989) 13-19
Effects of pressure on the structure of lizardite-1T
Sample: at P = 12.5 kbar
Locality: Val Sissone
_database_code_amcsd 0006339
5.316 5.316 7.150 90 90 120 P31m
atom    x    y     z occ Uiso
Mg   .337    0  .457 .93 .032
Fe   .337    0  .457 .05 .032
Al   .337    0  .457 .02 .032
Si    1/3  2/3  .067 .92 .008
Al    1/3  2/3  .067 .08 .008
O1    1/3  2/3  .291     .001
O2      0 .513 -.017     .006
O3      0 .668  .587     .033
O4      0    0  .270     .003
H3    .64    0   .71      .04
H4      0    0   .11      .04
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Lizardite
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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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