American Mineralogist Crystal Structure Database

24 matching records for this search.

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
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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
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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
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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
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View JMOL 3-D Structure (permalink)
 
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
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View JMOL 3-D Structure (permalink)
 
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
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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
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View JMOL 3-D Structure (permalink)
 
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
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View JMOL 3-D Structure (permalink)
 
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
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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
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View JMOL 3-D Structure (permalink)
 
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
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View JMOL 3-D Structure (permalink)
 
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 (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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 (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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View JMOL 3-D Structure (permalink)
 
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)
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View JMOL 3-D Structure (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
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View JMOL 3-D Structure (permalink)
 
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 24
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