American Mineralogist Crystal Structure Database

2 matching records for this search.

Li3TaO4
 
du Boulay D, Sakaguchi A, Suda K, Ishizawa N
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=80
Acta Crystallographica E59 (2003) i80-i82
Reinvestigation of beta-Li3TaO4
_database_code_amcsd 0010410
8.5080 8.5160 9.3380 90 116.869 90 C2/c
atom       x        y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1    .3164   -.1184   .6182   .012   .010   .016   .014   .005   .010   .008
Li2    .5425   -.1073   .1263   .017   .026   .005   .025   .001   .015  -.005
Li3    .8205   -.1201   .6388   .017   .022   .009   .021  -.005   .010  -.005
Ta   .078942 -.140811 .124844 .00618 .00648 .00666 .00567 .00038 .00297 .00036
O1     .1643   -.1228   .3608  .0079  .0074  .0114  .0037  .0005  .0016 -.0001
O2     .4394   -.1389   .8822  .0092  .0102  .0064  .0110 -.0019  .0048 -.0033
O3     .6961   -.1258   .3660  .0090  .0088  .0093  .0087  .0004  .0037 -.0027
O4     .9436   -.1106   .8886  .0084  .0069  .0101  .0067 -.0005  .0018  .0013
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View JMOL 3-D Structure (permalink)
 
LiMn2O4
 
Tateishi K, Suda K, du Boulay D, Ishizawa N, Oishi S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=18
Acta Crystallographica E60 (2004) i18-i21
LiMn2O4: a spinel-related low-temperature modification
_database_code_amcsd 0010421
24.7550 24.8832 8.2003 90 90 90 *Fddd
.125 .125 .125
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1    .125   .125   .125  .012   .012   .020   .005      0      0      0
Li2    .375  .2125   .375  .011   .008   .016   .008      0  -.002      0
Li3   .2057   .375   .375  .011   .011   .016   .006      0      0  -.001
Li4   .2904  .2941  .1238  .011   .009   .014   .011   .000  -.002   .002
Mn1     .25    .25     .5 .0092  .0079  .0104  .0094 -.0008 -.0010 -.0007
Mn2  .08098 .08515 .50078 .0097  .0095  .0117  .0080 -.0009 -.0010 -.0004
Mn3  .08407 .33028 .24970 .0093  .0068  .0133  .0080  .0008  .0004 -.0007
Mn4  .25330 .16797 .24552 .0087  .0069  .0112  .0081  .0001  .0004  .0002
Mn5  .16670 .24425 .24413 .0083  .0061  .0104  .0083  .0005 -.0002  .0008
O1   .17421 .16794  .2618 .0106  .0080  .0123  .0114 -.0010  .0015 -.0016
O2   .07879 .00779  .4798 .0112  .0109  .0134  .0093  .0013  .0005  .0007
O3   .07873 .33193  .4818 .0119  .0076  .0165  .0114 -.0004  .0018  .0007
O4   .25251 .17247  .4771 .0134  .0150  .0139  .0114  .0031 -.0010  .0008
O5   .00630 .00677  .2387 .0109  .0077  .0138  .0112 -.0005 -.0001 -.0024
O6   .25616 .09018  .2385 .0104  .0075  .0121  .0115 -.0005 -.0012  .0000
O7   .16281 .32326  .2352 .0109  .0075  .0139  .0113  .0005  .0007 -.0017
O8   .09041 .24386  .2346 .0109  .0061  .0155  .0110 -.0018 -.0004  .0009
O9   .08407 .16142  .5160 .0176  .0284  .0113  .0131  .0019 -.0028 -.0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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