|
Li3TaO4 |
| |
du Boulay D, Sakaguchi A, Suda K, Ishizawa N |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
LiMn2O4 |
| |
Tateishi K, Suda K, du Boulay D, Ishizawa N, Oishi S |
|
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
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
