|
BaZr2F10*2H2O |
| |
Gao Y, Guery J, Le Bail A, Jacoboni C |
| |
Journal of Solid State Chemistry 98 (1992) 11-24 |
|
Synthesis,X-ray single-crystal structure determination and dehydration |
|
study of BaZr2F10*2H2O by X-ray powder thermodiffractometry |
|
_cod_database_code 1000108 |
|
_database_code_amcsd 0013734 |
|
7.8974 7.9076 14.7227 90 90 90 Pnam |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .12239 .09033 .25 .0225 .0158 .0108 -.0083 0 0 |
|
Zr .33317 .33639 .99855 .0063 .0026 .0113 -.0003 .0000 .0005 |
|
F1 .0058 .0095 .0794 .0142 .0120 .0122 .0036 -.0010 .0004 |
|
F2 .0616 .2886 -.0022 .0074 .0068 .0566 -.0006 -.0001 .0007 |
|
F3 .2872 .0663 -.0165 .0118 .0049 .0397 -.0019 .0007 .0001 |
|
F4 .2935 .2697 .1284 .0345 .0230 .0187 -.0129 .0068 .0050 |
|
F5 .2732 .3237 .8654 .0394 .0254 .0173 -.0150 -.0094 .0018 |
|
O1 .3324 .5923 .25 .0449 .0254 .0267 .0196 0 0 |
|
O2 .5031 .0602 .2259 .5 .0247 .0407 .0460 -.0029 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaRb2Al3F12 |
| |
Le Bail A, Gao Y, Fourquet J, Jacoboni C |
| |
Materials Research Bulletin 25 (1990) 831-839 |
|
Structure determination of A2NaAl3F12 (A=K,Na) |
|
_cod_database_code 1000146 |
|
_database_code_amcsd 0014346 |
|
12.046 6.984 7.093 90 125.04 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 .8827 .25 .8768 .0257 .0253 .0227 0 0 .0159 |
|
Rb2 .3618 .75 .8805 .0193 .0261 .0138 0 0 .0066 |
|
Na .2450 .25 .0264 |
|
Al1 .5 .5 .5 |
|
Al2 0 0 .5 |
|
Al3 .2716 .25 .5605 |
|
F1 .5108 .25 .4333 |
|
F2 .3608 .25 .8577 |
|
F3 .0564 .75 .5623 |
|
F4 .8209 .75 .7320 |
|
F5 .6393 .0319 .7849 |
|
F6 .3849 .0648 .5831 |
|
F7 .9308 .9633 .2097 |
|
F8 .8371 .5612 .4499 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2NaAl3F12 |
| |
Le Bail A, Gao Y, Fourquet J, Jacoboni C |
| |
Materials Research Bulletin 25 (1990) 831-839 |
|
Structure determination of A2NaAl3F12 (A=K,Na) |
|
_cod_database_code 1000147 |
|
_database_code_amcsd 0014347 |
|
11.882 6.983 9.942 90 125.59 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .8937 .25 .9071 .0222 .0254 .0229 0 0 .0147 |
|
K2 .3581 .75 .8923 .0155 .0359 .0201 0 0 .0081 |
|
Na .2407 .25 .0312 .0144 .0137 .0127 0 0 .0082 |
|
Al1 .5 .5 .5 .0078 .0054 .0089 -.0004 .0053 .0003 |
|
Al2 0 0 .5 .0073 .0058 .0085 -.0002 .0048 .0001 |
|
Al3 .2811 .25 .5891 .0075 .0079 .0096 0 0 .0062 |
|
F1 .4984 .25 .4189 .0156 .0062 .0136 0 0 .0094 |
|
F2 .3788 .25 .8985 .0125 .0270 .0092 0 0 .0056 |
|
F3 .0582 .75 .5843 .0115 .0055 .0145 0 0 .0062 |
|
F4 .8215 .75 .7174 .0137 .0235 .0090 0 0 .0060 |
|
F5 .6510 .0405 .7849 .0120 .0127 .0115 -.0005 .0040 -.0007 |
|
F6 .3946 .0626 .6068 .0154 .0111 .0199 .0043 .0141 .0022 |
|
F7 .9490 .9565 .2112 .0187 .0125 .0104 -.0016 .0088 -.0021 |
|
F8 .8260 .5608 .4081 .0095 .0120 .0205 .0009 .0090 -.0029 |
|
|
| 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.
