|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 1 |
|
_database_code_amcsd 0007866 |
|
8.6557 8.6557 4.7702 90 90 90 I-4 |
|
atom x y z |
|
Si .17244 .17581 .02405 |
|
O1 .28204 .19187 .29810 |
|
O2 .69652 .50674 .38447 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 2 |
|
_database_code_amcsd 0007867 |
|
4.7481 4.7481 7.4880 90 90 90 I-42d |
|
atom x y z |
|
Si .5 .5 .5 |
|
O .25 .62338 .375 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 3 |
|
_database_code_amcsd 0007868 |
|
5.0482 6.6568 4.9371 90 90 90 Pna2_1 |
|
atom x y z |
|
Si .05215 .625 0 |
|
O1 .02858 .56850 .31851 |
|
O2 .14569 .19001 .41350 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 4 |
|
_database_code_amcsd 0007869 |
|
4.9329 4.9329 6.4645 90 90 90 P4_12_12 |
|
atom x y z |
|
Si .68229 .68229 .5 |
|
O .36457 .73165 .44807 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 5 |
|
_database_code_amcsd 0007870 |
|
4.9329 4.9329 6.4645 90 90 90 P4_32_12 |
|
atom x y z |
|
Si .81770 .81771 .5 |
|
O .26834 .36457 .80193 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 6 |
|
_database_code_amcsd 0007871 |
|
10.2170 7.9579 4.9565 90 90 90 Ima2 |
|
atom x y z |
|
Si .10183 .35660 .5 |
|
O1 .57933 .69059 .18477 |
|
O2 .75 .92453 .04157 |
|
O3 0 .5 .59431 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 7 |
|
_database_code_amcsd 0007872 |
|
7.4953 8.6203 4.7305 90 90 90 C222_1 |
|
atom x y z |
|
Si .19691 .15247 .35535 |
|
O1 .31542 .20927 .08746 |
|
O2 0 .10526 .25 |
|
O3 .71315 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
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 8 |
|
_database_code_amcsd 0007873 |
|
8.8664 4.7482 8.7918 90 115.4133 90 C2/c |
|
atom x y z |
|
Si .81229 .12825 .18687 |
|
O1 .25 .25 .5 |
|
O2 .18810 .62173 .68770 |
|
O3 0 .00488 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 9 |
|
_database_code_amcsd 0007874 |
|
11.1032 7.8989 4.9771 90 112.2654 90 C2/c |
|
atom x y z |
|
Si .64566 .60868 .83039 |
|
O1 0 .81716 .25 |
|
O2 .83439 .94282 .46534 |
|
O3 .25001 .75 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 10 |
|
_database_code_amcsd 0007875 |
|
4.8452 6.9852 7.0237 113.811 77.951 76.701 P1 |
|
atom x y z |
|
Si1 .56694 .53023 .14443 |
|
Si2 .18157 .63553 .56963 |
|
Si3 .17781 .28153 .16121 |
|
Si4 .55261 .77228 .87133 |
|
O1 .68108 .64967 .00381 |
|
O2 .17776 .38859 .41568 |
|
O3 .38732 .37207 .02957 |
|
O4 .30189 .01295 .04855 |
|
O5 .39291 .62250 .71914 |
|
O6 .83357 .79966 .72185 |
|
O7 .33606 .71179 .39507 |
|
O8 .84169 .36805 .16267 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 11 |
|
_database_code_amcsd 0007876 |
|
6.9979 8.2122 6.5106 90 114.9303 90 C2 |
|
atom x y z |
|
Si1 .20423 0 .21347 |
|
Si2 .39511 .81983 .64098 |
|
O1 .5 .71754 .5 |
|
O2 0 .93053 0 |
|
O3 .79134 .92676 .55053 |
|
O4 .41950 .94158 .19267 |
|
O5 .80752 .19767 .77866 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 12 |
|
_database_code_amcsd 0007877 |
|
6.8513 7.3761 6.7085 90 101.9184 90 C2 |
|
atom x y z |
|
Si1 .01054 0 .23495 |
|
Si2 .31067 .87196 .57810 |
|
O1 0 .45864 .5 |
|
O2 0 .94815 0 |
|
O3 .12803 .18858 .29236 |
|
O4 .13432 .84126 .37777 |
|
O5 .21492 .01077 .72051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 13 |
|
_database_code_amcsd 0007878 |
|
6.6211 7.9963 5.4115 90 100.2277 90 C2 |
|
atom x y z |
|
Si1 .19117 .5 .28369 |
|
Si2 .24400 .12610 .20584 |
|
O1 .31674 .51016 .57183 |
|
O2 .13270 .30628 .22617 |
|
O3 .32872 .55266 .07655 |
|
O4 .00574 .62869 .74487 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 14 |
|
_database_code_amcsd 0007879 |
|
5.8657 5.1519 5.3377 92.6936 90.7338 90.0688 P1 |
|
atom x y z |
|
Si1 .09993 .21417 .23644 |
|
Si2 .84312 .85110 .49421 |
|
Si3 .10030 .47770 .74039 |
|
Si4 .53953 .35064 .49265 |
|
O1 .00245 .33899 .98339 |
|
O2 .68637 .59987 .40748 |
|
O3 .99205 .35273 .48362 |
|
O4 .37609 .24120 .26115 |
|
O5 .37645 .45195 .72274 |
|
O6 .00933 .77384 .72822 |
|
O7 .00859 .91962 .26120 |
|
O8 .69721 .10951 .57922 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 15 |
|
_database_code_amcsd 0007880 |
|
5.0980 5.2954 6.9599 110.9196 107.5582 83.9309 P1 |
|
atom x y z |
|
Si1 .13461 .29869 .23439 |
|
Si2 .61791 .28429 .59542 |
|
Si3 .55239 .36908 .04434 |
|
Si4 .82673 .72167 .45675 |
|
O1 .10729 .61244 .38526 |
|
O2 .84186 .04196 .59954 |
|
O3 .26716 .26269 .04211 |
|
O4 .59523 .66732 .22804 |
|
O5 .81718 .18433 .12257 |
|
O6 .34158 .15975 .39651 |
|
O7 .75255 .53776 .57710 |
|
O8 .53106 .39156 .81529 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 16 |
|
_database_code_amcsd 0007881 |
|
6.6395 8.0488 5.4184 90 99.9967 90 Cc |
|
atom x y z |
|
Si1 0 .03951 .5 |
|
Si2 .04928 .41410 .41569 |
|
O1 .29789 .58048 .97139 |
|
O2 .12542 .01394 .78199 |
|
O3 .47304 .96257 .11972 |
|
O4 .44951 .73454 .46074 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 17 |
|
_database_code_amcsd 0007882 |
|
5.5569 5.2463 5.9716 88.5667 114.2259 94.0951 P1 |
|
atom x y z |
|
Si1 .13331 .18553 .66792 |
|
Si2 .67711 .07354 .19415 |
|
Si3 .29764 .69248 .98863 |
|
Si4 .18671 .26282 .20830 |
|
O1 .17799 .96268 .87359 |
|
O2 .61266 .76700 .14156 |
|
O3 .22608 .47365 .78015 |
|
O4 .87320 .17109 .06243 |
|
O5 .82147 .15236 .48423 |
|
O6 .38202 .18349 .08008 |
|
O7 .19661 .57335 .19208 |
|
O8 .28772 .15463 .49050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 18 |
|
_database_code_amcsd 0007883 |
|
4.1154 4.4201 15.5724 90 90 90 I2_12_12_1 |
|
atom x y z |
|
Si1 0 .75 .81134 |
|
Si2 0 .75 .06175 |
|
O1 .23818 .56935 .12709 |
|
O2 .32240 0 .25 |
|
O3 .25 .05307 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 19 |
|
_database_code_amcsd 0007884 |
|
4.7082 5.5282 5.0064 90 107.8346 90 Pm |
|
atom x y z |
|
Si1 0 .5 0 |
|
Si2 .53662 .5 .53762 |
|
Si3 .95079 0 .21653 |
|
Si4 .54481 0 .55830 |
|
O1 .30313 0 .25680 |
|
O2 .46696 .74682 .68687 |
|
O3 .90747 .5 .65132 |
|
O4 .82996 .25443 .05792 |
|
O5 .87559 0 .51469 |
|
O6 .35985 .5 .19218 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 20 |
|
_database_code_amcsd 0007885 |
|
5.4515 5.3227 5.8091 77.9812 82.2353 54.5766 P1 |
|
atom x y z |
|
Si1 .63119 .15529 .92211 |
|
Si2 .74028 .53694 .09612 |
|
Si3 .07709 .98438 .51099 |
|
Si4 .67431 .80691 .61642 |
|
O1 .62734 .88862 .11558 |
|
O2 .93048 .81599 .44260 |
|
O3 .95278 .06157 .78337 |
|
O4 .44530 .75325 .51403 |
|
O5 .97640 .28860 .30715 |
|
O6 .46678 .14977 .71234 |
|
O7 .87702 .52473 .83219 |
|
O8 .49365 .46743 .04826 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 21 |
|
_database_code_amcsd 0007886 |
|
4.7209 4.5622 6.0394 90.9053 93.3589 105.9589 P1 |
|
atom x y z |
|
Si1 .92440 .88732 .09823 |
|
Si2 .04628 .67669 .54485 |
|
Si3 .28983 .49012 .16406 |
|
Si4 .56482 .15851 .81421 |
|
O1 .83179 .74573 .33781 |
|
O2 .29799 .54261 .43287 |
|
O3 .24088 .00747 .67014 |
|
O4 .99265 .23923 .13734 |
|
O5 .69292 .86751 .88460 |
|
O6 .51991 .33202 .04662 |
|
O7 .21255 .77809 .04640 |
|
O8 .82618 .40998 .68894 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 22 |
|
_database_code_amcsd 0007887 |
|
4.2166 4.0206 7.6423 90 119.6668 90 Pc |
|
atom x y z |
|
Si1 0 .49891 0 |
|
Si2 .30231 .10448 .37836 |
|
O1 .34155 .26088 .58341 |
|
O2 .68329 .20774 .38310 |
|
O3 .13105 .27048 .86496 |
|
O4 .98917 .30762 .18536 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 23 |
|
_database_code_amcsd 0007888 |
|
4.1605 4.1294 7.4211 90 101.3752 90 P2 |
|
atom x y z |
|
Si1 .18244 0 .69651 |
|
Si2 .38098 .58564 .17797 |
|
O1 .02399 .75200 .18927 |
|
O2 .5 .73859 0 |
|
O3 .38562 .71473 .64074 |
|
O4 0 .15907 .5 |
|
O5 .48963 .20196 .18802 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Boisen M B, Gibbs G V, Bukowinski M S T |
| |
Physics and Chemistry of Minerals 21 (1994) 269-284 |
|
Framework silica structures generated using simulated annealing |
|
with a potential energy function based on an H6Si2O7 molecule |
|
Sample: 24 |
|
_database_code_amcsd 0007889 |
|
4.6409 5.2953 6.7956 111.5060 93.9553 90.7337 P1 |
|
atom x y z |
|
Si1 .38321 .12156 .91206 |
|
Si2 .98484 .05842 .20981 |
|
Si3 .55103 .07841 .51208 |
|
Si4 .85250 .45631 .90853 |
|
O1 .25629 .11061 .38392 |
|
O2 .23864 .95996 .04677 |
|
O3 .46346 .92752 .67308 |
|
O4 .80431 .93313 .35555 |
|
O5 .17541 .35115 .88674 |
|
O6 .84740 .77974 .03350 |
|
O7 .67863 .29388 .02995 |
|
O8 .68733 .37481 .67126 |
|
|
| 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
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