|
Leucite |
 |
Palmer D C, Dove M T, Ibberson R M, Powell B M |
 |
American Mineralogist 82 (1997) 16-29 |
|
Structural behavior, crystal chemistry and phase transitions in substituted |
|
leucites: High-resolution neutron powder diffraction studies |
|
Sample: Natural, Expt. no. 3003, T = 298 K, KAlSi2O6 |
|
_database_code_amcsd 0001851 |
|
13.05476 13.05476 13.75182 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K .3659 .3637 .1169 .004371 .002963 .010549 -.000733 .000042 -.000794 |
|
Si1 .0574 .3969 .1665 2/3 .000851 .000103 .000939 -.000073 .000613 -.000125 |
|
Si2 .1675 .6116 .1287 2/3 .000352 .001232 .000106 -.000220 -.000306 .000585 |
|
Si3 .3930 .6420 .0862 2/3 .000235 .000880 .000912 -.000264 -.000195 -.001058 |
|
Al1 .0574 .3969 .1665 1/3 .000851 .000103 .000939 -.000073 .000613 -.000125 |
|
Al2 .1675 .6116 .1287 1/3 .000352 .001232 .000106 -.000220 -.000306 .000585 |
|
Al3 .3930 .6420 .0862 1/3 .000235 .000880 .000912 -.000264 -.000195 -.001058 |
|
O1 .1324 .3141 .1099 .003711 .001863 .004217 .000865 .000487 -.000822 |
|
O2 .0908 .5112 .1308 .003198 .002640 .002128 -.000733 -.000084 .000097 |
|
O3 .1461 .6808 .2278 .002714 .001878 .001229 -.000205 .000668 -.000181 |
|
O4 .1331 .6851 .0348 .002156 .003315 .001679 .000337 -.000056 .000780 |
|
O5 .2889 .5756 .1204 .000997 .001672 .003001 .000044 .000529 -.000056 |
|
O6 .4836 .6172 .1673 .001188 .001966 .001348 -.000073 -.000265 .000376 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leucite |
|
Palmer D C, Dove M T, Ibberson R M, Powell B M |
|
American Mineralogist 82 (1997) 16-29 |
|
Structural behavior, crystal chemistry and phase transitions in substituted |
|
leucites: High-resolution neutron powder diffraction studies |
|
Sample: Expt. no. 2830, T = 298 K, RbAlSi2O6 |
|
_database_code_amcsd 0001852 |
|
13.29180 13.29180 13.74118 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Rb .3654 .3636 .1221 .004882 .003736 .006527 -.000311 -.000370 -.000424 |
|
Si1 .0643 .3926 .1656 2/3 .004429 .002986 .004859 .000665 .000739 -.000739 |
|
Si2 .1684 .6060 .1283 2/3 .004740 .002759 .004277 -.001245 .000110 .000274 |
|
Si3 .3911 .6447 .0864 2/3 .003750 .002519 .002396 -.000311 .000616 .000068 |
|
Al1 .0643 .3926 .1656 1/3 .004429 .002986 .004859 .000665 .000739 -.000739 |
|
Al2 .1684 .6060 .1283 1/3 .004740 .002759 .004277 -.001245 .000110 .000274 |
|
Al3 .3911 .6447 .0864 1/3 .003750 .002519 .002396 -.000311 .000616 .000068 |
|
O1 .1324 .3054 .1099 .003736 .003778 .002489 .000750 -.000068 .000411 |
|
O2 .1039 .5015 .1265 .002519 .002858 .004051 .000071 .000520 .000287 |
|
O3 .1398 .6729 .2260 .002307 .003495 .002807 .000028 -.000246 .000671 |
|
O4 .1317 .6761 .0338 .001656 .001316 .002608 -.000552 .000014 -.000356 |
|
O5 .2899 .5808 .1237 .000580 .000722 .001072 -.000283 .000548 .000329 |
|
O6 .4822 .6174 .1638 .000934 .001075 .000821 .000127 .000014 -.001013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leucite |
|
Palmer D C, Dove M T, Ibberson R M, Powell B M |
|
American Mineralogist 82 (1997) 16-29 |
|
Structural behavior, crystal chemistry and phase transitions in substituted |
|
leucites: High-resolution neutron powder diffraction studies |
|
Sample: Expt. no. 2828, T = 298 K, CsAlSi2O6 |
|
_database_code_amcsd 0001853 |
|
13.6524 13.6524 13.7216 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Biso |
|
Cs .3701 .3698 .1238 2.63 |
|
Si1 .0801 .3832 .1625 2/3 .72 |
|
Si2 .1667 .5958 .1234 2/3 .43 |
|
Si3 .3852 .6555 .0850 2/3 1.29 |
|
Al1 .0801 .3832 .1625 1/3 .72 |
|
Al2 .1667 .5958 .1234 1/3 .43 |
|
Al3 .3852 .6555 .0850 1/3 1.29 |
|
O1 .1347 .2883 .1084 2.02 |
|
O2 .1289 .4814 .1160 2.39 |
|
O3 .1183 .6502 .2204 2.24 |
|
O4 .1274 .6577 .0300 2.57 |
|
O5 .2874 .5923 .1293 2.32 |
|
O6 .4764 .6160 .1540 2.51 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leucite |
|
Palmer D C, Dove M T, Ibberson R M, Powell B M |
|
American Mineralogist 82 (1997) 16-29 |
|
Structural behavior, crystal chemistry and phase transitions in substituted |
|
leucites: High-resolution neutron powder diffraction studies |
|
Sample: Expt. no. 3757, T = 298 K, KFeSi2O6 |
|
_database_code_amcsd 0001854 |
|
13.20357 13.20357 13.95446 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K .3650 .3624 .1162 .90 .012146 .002940 .013711 .000100 -.005889 -.004410 |
|
Si1 .0579 .3964 .1665 2/3 .000516 .002280 .004018 .000000 -.000597 -.001221 |
|
Si2 .1673 .6123 .1265 2/3 .001993 .003972 .000347 -.000832 -.000950 .000136 |
|
Si3 .3905 .6444 .0843 2/3 .002696 .002854 .000783 -.000789 .000190 -.000611 |
|
O1 .1310 .3155 .1087 .010124 .004718 .010797 -.001534 .001981 .000299 |
|
O2 .0862 .5128 .1329 .004560 .008891 .006869 -.000803 -.001628 .000054 |
|
O3 .1463 .6828 .2274 .005994 .004618 .005020 .001477 .002877 .000760 |
|
O4 .1282 .6843 .0364 .004173 .008661 .003184 .000746 .001411 .001167 |
|
O5 .2892 .5729 .1234 .005621 .003513 .005675 -.000832 .001058 -.002090 |
|
O6 .4813 .6183 .1684 .002567 .005005 .006162 .002251 -.000787 -.000692 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 5 K |
|
_database_code_amcsd 0014654 |
|
6.5672 4.4678 8.6938 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Br 0 .1390 .1114 .37 .0052 -.0021 .0103 0 0 .0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 80 K |
|
_database_code_amcsd 0014655 |
|
6.5982 4.4933 8.7014 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Br 0 .1381 .1109 .86 .0119 .0053 .0153 0 0 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 170 K |
|
_database_code_amcsd 0014656 |
|
6.6567 4.5541 8.7068 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Br 0 .1361 .1105 2.05 .0260 .0206 .0317 0 0 .0011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 250 K |
|
_database_code_amcsd 0014657 |
|
6.7265 4.6451 8.7023 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Br 0 .1349 .1099 3.00 .0442 .0346 .0341 0 0 -.0043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, |
|
bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 22 K |
|
_database_code_amcsd 0014658 |
|
6.1453 4.3954 8.1537 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cl 0 .1237 .1025 .85 .0099 .0121 .0109 0 0 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, |
|
bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 55 K |
|
_database_code_amcsd 0014659 |
|
6.1804 4.4174 8.1711 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cl 0 .1224 .1022 1.37 .0172 .0195 .0154 0 0 -.0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, |
|
bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 100 K |
|
_database_code_amcsd 0014660 |
|
6.2235 4.4561 8.1785 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cl 0 .1219 .1015 2.06 .0274 .0288 .0205 0 0 .0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorine |
| |
Powell B M, Heal K M, Torrie B H |
| |
Molecular Physics 53 (1984) 929-939 |
|
The temperature dependence of the crystal structures of the solid halogens, |
|
bromine and chlorine |
|
Locality: synthetic |
|
Sample: at T = 160 K |
|
_database_code_amcsd 0014661 |
|
6.2929 4.5361 8.1617 90 90 90 Cmca |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cl 0 .1219 .1006 2.84 .0439 .0352 .0270 0 0 -.0010 |
|
|
| 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.
