American Mineralogist Crystal Structure Database

2702 matching records for this search.

Forsterite
Download hom/forsterite.pdf
Nord A G, Annersten H, Filippidis A
Download am/vol67/AM67_1206.pdf
American Mineralogist 67 (1982) 1206-1211
The cation distribution in synthetic Mg-Fe-Ni olivines
sample H2
Locality: synthetic
_database_code_amcsd 0000885
4.762 10.244 5.989 90 90 90 Pbnm
atom    x    y    z occ Biso
Ni1     0    0    0 .45 -0.9
Mg1     0    0    0 .43 -0.9
Fe1     0    0    0 .12 -0.9
Mg2  .989 .278  .25 .71 -0.9
Fe2  .989 .278  .25 .22 -0.9
Ni2  .989 .278  .25 .07 -0.9
Si   .418 .098  .25     -2.3
O1   .776 .102  .25     -2.3
O2   .207 .470  .25     -2.3
O3   .274 .163 .029     -2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Nord A G, Annersten H, Filippidis A
Download am/vol67/AM67_1206.pdf
American Mineralogist 67 (1982) 1206-1211
The cation distribution in synthetic Mg-Fe-Ni olivines
sample H4
Locality: synthetic
_database_code_amcsd 0000886
4.747 10.193 5.951 90 90 90 Pbnm
atom    x    y    z occ Biso
Ni1     0    0    0 .68 0.90
Mg1     0    0    0 .30 0.90
Fe1     0    0    0 .02 0.90
Mg2  .986 .277  .25 .72 0.90
Fe2  .986 .277  .25 .06 0.90
Ni2  .986 .277  .25 .22 0.90
Si   .426 .096  .25     -0.3
O1   .779 .101  .25     -0.3
O2   .207 .458  .25     -0.3
O3   .265 .167 .035     -0.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample Na, T = 24 C
_database_code_amcsd 0000912
9.938 17.952 5.258 90 106.62 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .281295 .915615 .985984 .001165 .000293 .004015  .000038  .000674  .000016
Si2  .287536 .828860 .486283 .001172 .000347 .003915  .000096  .000586  .000046
Mg1        0 .911155      .5 .001551 .000372 .004877        0  .000957        0
Mg2        0 .821195       0 .001585 .000439 .005896        0  .000656        0
Mg3        0       0       0 .001568 .000309 .004508        0  .000951        0
Na         0 .724328      .5 .003405 .000610 .006387        0 -.000642        0
Ca         0 .724328      .5 .003405 .000610 .006387        0 -.000642        0
K    .475620 .986849 .536544 .011674 .002323 .023153 -.002238 -.008467  .001005
O1   .113197 .915735 .895138 .001336 .000399 .006160 -.000009  .000689  .000029
O2   .118834 .832357 .392227 .001499 .000552 .005163  .000026  .000708 -.000281
F3   .103057       0 .391039 .002283 .000507 .005936        0  .000354        0
O4   .361302 .750988 .567769 .002676 .000538 .007022  .000436  .001278  .000263
O5   .349210 .869419 .258496 .001790 .000719 .006791  .000007  .001025  .000771
O6   .344776 .883070 .756179 .002200 .000688 .006326 -.000075  .001429 -.000814
O7   .343561       0 .053998 .002071 .000321 .009710        0  .000561        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample Na, T = 400 C
_database_code_amcsd 0000913
9.979 18.036 5.270 90 106.71 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .280399 .915874 .985783 .002212 .000596 .007001  .000089  .001141 -.000003
Si2  .287218 .829369 .486744 .002404 .000712 .006998  .000196  .001035  .000038
Mg1        0 .910867      .5 .003075 .000816 .008561        0  .001478        0
Mg2        0 .820556       0 .003052 .000843 .010557        0  .014390        0
Mg3        0       0       0 .003076 .000646 .008417        0  .001857        0
Na         0 .723943      .5 .007284 .001104 .014194        0 -.001655        0
Ca         0 .723943      .5 .007284 .001104 .014194        0 -.001655        0
K    .471512 .988462 .539990 .017534 .003916 .048638 -.003753 -.014281 -.000011
O1   .113196 .915663 .895280 .002397 .000834 .008983  .000089  .000826 -.000254
O2   .119168 .832412 .392321 .002470 .001115 .009893  .000148  .001181 -.000453
F3   .102932       0 .390656 .004568 .001010 .013442        0  .001847        0
O4   .361387 .752077 .565024 .005110 .000961 .013364  .000892  .002072  .000533
O5   .347600 .870947 .260105 .003453 .001398 .011432  .000116  .001439  .001881
O6   .343863 .882143 .759688 .003826 .001390 .010031 -.000119  .002362 -.001602
O7   .341910       0 .048703 .003765 .000530 .022263        0  .001475        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample Na, T = 600 C
_database_code_amcsd 0000914
10.008 18.087 5.278 90 106.69 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .279891 .915946 .985702 .002800 .000736 .008939 0.000093 0.001567 -.000063
Si2  .287131 .829603 .486617 .002770 .000855 .009308 0.000245 0.001368 0.000096
Mg1        0 .910749      .5 .003871 .001000 .010734        0 0.001766        0
Mg2        0 .820152       0 .003976 .001073 .013237        0 0.001719        0
Mg3        0       0       0 .003925 .000799 .011714        0 0.002904        0
Na         0 .723597      .5 .009396 .001413 .018408        0 -.002370        0
Ca         0 .723597      .5 .009396 .001413 .018408        0 -.002370        0
K    .470075 .988463 .542656 .019775 .004656 .052577 -.002971 -.013012 0.002437
O1   .113094 .915579 .895356 .002979 .000984 .012620 0.000201 0.001626 -.000194
O2   .119132 .832334 .392170 .003301 .001389 .011667 0.000181 0.001258 -.000490
F3   .103301       0 .390878 .005529 .001260 .018094        0 0.002044        0
O4   .361948 .752636 .564131 .006453 .001142 .017670 0.001132 0.002957 0.000571
O5   .347232 .871696 .260310 .004116 .001736 .014426 0.000136 0.002453 0.002115
O6   .343310 .882197 .759953 .004584 .001696 .014273 -.000037 0.002856 -.002037
O7   .341288       0 .045692 .004690 .000680 .026755        0 0.001558        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample Na, T = 800 C
_database_code_amcsd 0000915
10.032 18.131 5.284 90 106.7 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .279351 .916091 .985628 .003265 .000854 .011115 0.000099 0.001800 -.000125
Si2  .286891 .829825 .486654 .003490 .001003 .010967 0.000384 0.001741 0.000212
Mg1        0 .910486      .5 .004453 .001198 .013517        0 0.001825        0
Mg2        0 .819634       0 .004885 .001328 .015056        0 0.001936        0
Mg3        0       0       0 .005089 .001087 .014447        0 0.004238        0
Na         0 .723454      .5 .011438 .001648 .022841        0 -.003115        0
Ca         0 .723454      .5 .011438 .001648 .022841        0 -.003115        0
K    .469233 .991334 .548098 .023289 .007652 .056224 -.006404 -.011892 0.002821
O1   .113129 .915249 .895183 .003351 .001240 .015539 0.000164 0.001421 -.000301
O2   .119610 .832196 .391848 .003880 .001597 .013276 0.000229 0.001081 -.000472
F3   .103100       0 .391519 .007067 .001670 .020922        0 0.002355        0
O4   .361824 .753412 .562946 .007952 .001247 .022929 0.001471 0.003830 0.000630
O5   .346025 .872263 .260349 .005107 .002088 .016915 0.000280 0.002489 0.002309
O6   .342653 .881909 .760649 .005756 .001980 .016465 0.000045 0.003859 -.002287
O7   .340170       0 .044083 .005911 .000785 .029764        0 0.001859        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample Na, T = 900 C
_database_code_amcsd 0000916
10.043 18.149 5.286 90 106.69 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .279395 .916186 .985718 .003798 .001085 .013080 0.000107 0.003004 -.000159
Si2  .287005 .829880 .487442 .004195 .001203 .012679 0.000259 0.003161 0.000012
Mg1        0 .910418      .5 .005453 .001459 .015312        0 0.003529        0
Mg2        0 .819395       0 .005538 .001519 .017567        0 0.003290        0
Mg3        0       0       0 .005572 .001311 .017792        0 0.005865        0
Na         0 .723460      .5 .013004 .001921 .025278        0 -.001699        0
Ca         0 .723460      .5 .013004 .001921 .025278        0 -.001699        0
K    .467104 .988723 .552547 .025343 .008954 .063307 -.002776 -.013009 -.000704
O1   .112887 .915169 .895422 .004713 .001447 .016057 -.000037 0.004119 -.000078
O2   .119569 .832030 .391908 .004427 .001863 .016393 0.000175 0.002257 -.000281
F3   .102901       0 .392338 .007932 .001803 .026652        0 0.003935        0
O4   .362509 .753329 .565022 .008848 .001465 .026455 0.001275 0.006289 0.000093
O5   .346180 .872464 .262337 .005742 .002315 .018274 0.000142 0.003459 0.002516
O6   .342153 .881366 .760241 .006715 .002239 .017956 0.000121 0.004468 -.002203
O7   .340252       0 .041793 .006706 .000982 .034537        0 0.002717        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample K, T = 24 C
_database_code_amcsd 0000917
9.992 17.972 5.260 90 105.80 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .277177 .915164 .976889 .001095 .000282 .004242 0.000112 0.000365 -.000031
Si2  .285783 .828490 .480458 .001027 .000368 .003157 0.000032 0.000163 0.000003
Mg1        0 .910661      .5 .001473 .000420 .003342        0 0.000826        0
Mg2        0 .820963       0 .001677 .000364 .006682        0 0.000378        0
Mg3        0       0       0 .001491 .000297 .005811        0 0.000376        0
Na         0 .722749      .5 .003126 .000442 .005277        0 -.000671        0
Ca         0 .722749      .5 .003126 .000442 .005277        0 -.000671        0
K    .485063       0 .508330 .011784 .002096 .033346        0 -.013013        0
O1   .111233 .914972 .891862 .001153 .000407 .005131 0.000147 0.000661 -.000070
O2   .117991 .831357 .391820 .001306 .000561 .005132 -.000033 0.000801 -.000273
F3   .101463       0 .387457 .002033 .000527 .005912       0  -.000261        0
O4   .360995 .751464 .564110 .002198 .000592 .007003 0.000679 0.000676 -.000072
O5   .345376 .869705 .249609 .001928 .000694 .005886 -.000083 0.000857 0.000550
O6   .341760 .882593 .748649 .001509 .000690 .006636 -.000038 0.000815 -.000785
O7   .335861       0 .032844 .002422 .000239 .009342        0 -.000171        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample K, T = 400 C
_database_code_amcsd 0000918
10.041 18.056 5.272 90 105.83 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .276177 .915547 .977002 .002152 .000610 .007375 0.000065 0.001249 0.000004
Si2  .285421 .828897 .480690 .002103 .000651 .007030 0.000155 0.000645 0.000076
Mg1        0 .910209      .5 .003012 .000770 .008699        0 0.001242        0
Mg2        0 .820156       0 .002942 .000851 .010729        0 0.000563        0
Mg3        0       0       0 .003279 .000665 .008364        0 0.001268        0
Na         0 .722197      .5 .006764 .001053 .013550        0 -.001847        0
Ca         0 .722197      .5 .006764 .001053 .013550        0 -.001847        0
K    .482215       0 .525314 .019383 .003020 .037572        0 -.014580        0
O1   .111184 .914716 .891798 .002381 .000907 .009824 0.000214 0.000497 -.000345
O2   .118032 .830999 .392406 .002599 .001165 .009653 0.000045 0.000920 -.000602
F3   .101850       0 .387746 .003860 .001389 .013062        0 0.000725        0
O4   .360771 .752215 .560540 .004456 .001012 .016637 0.001140 0.001538 0.000668
O5   .343679 .870759 .250588 .003484 .001174 .010428 -.000030 0.001148 0.001121
O6   .340387 .882039 .750258 .003505 .001433 .010172 -.000023 0.001676 -.001427
O7   .334334       0 .029711 .004427 .000546 .019861        0 0.000407        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample K, T = 600 C
_database_code_amcsd 0000919
10.070 18.106 5.278 90 105.83 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .275351 .915535 .976894 .002599 .000748 .008620 0.000014 0.000793 -.000067
Si2  .285122 .829132 .480556 .002882 .000854 .008677 0.000272 0.001229 0.000214
Mg1        0 .910039      .5 .003685 .001094 .011581        0 0.001635        0
Mg2        0 .819693       0 .003835 .001026 .012349        0 0.000444        0
Mg3        0       0       0 .003888 .000904 .010287        0 0.002755        0
Na         0 .721732      .5 .008572 .001392 .018030        0 -.002557        0
Ca         0 .721732      .5 .008572 .001392 .018030        0 -.002557        0
K    .475912       0 .526849 .015684 .003378 .046114        0 -.011537        0
O1   .110445 .914716 .891434 .003356 .001189 .011769 0.000199 0.000850 -.000644
O2   .118650 .830848 .392283 .002842 .001461 .010712 0.000212 0.001230 -.000641
F3   .102545       0 .387396 .005636 .001653 .013664        0 0.001416        0
O4   .361498 .753143 .559350 .006705 .001211 .019387 0.001199 0.002843 0.000462
O5   .343231 .871667 .250219 .003840 .001715 .013446 0.000240 0.001495 0.001751
O6   .339558 .881909 .751789 .004426 .001762 .012399 -.000226 0.002982 -.001973
O7   .333076       0 .028690 .004975 .000731 .024596        0 0.001239        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-richterite
 
Cameron M, Sueno S, Papike J J, Prewitt C T
Download am/vol68/AM68_924.pdf
American Mineralogist 68 (1983) 924-943
High temperature crystal chemistry of K and Na fluor-richterites
Note: sample K, T = 800 C
_database_code_amcsd 0000920
10.104 18.159 5.285 90 105.85 90 I2/m
atom       x       y       z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Si1  .274855 .915721 .976838 .003363 .000958 .011589 0.000165 0.001450 -.000065
Si2  .284752 .829345 .480509 .003443 .001032 .011063 0.000228 0.001318 0.000070
Mg1        0 .909825      .5 .004978 .001283 .013404        0 0.002046        0
Mg2        0 .819130       0 .004983 .001445 .017141        0 0.001634        0
Mg3        0       0       0 .005317 .001206 .015200        0 0.003631        0
Na         0 .721602      .5 .010752 .001719 .022644        0 -.003039        0
Ca         0 .721602      .5 .010752 .001719 .022644        0 -.003039        0
K    .474736       0 .533448 .018746 .004231 .049215        0 -.011018        0
O1   .110823 .914582 .890979 .003808 .001446 .016465 0.000114 0.002123 -.000431
O2   .119256 .830623 .392625 .003670 .001663 .016113 0.000489 0.001099 -.000480
F3   .101383       0 .388422 .007002 .001815 .021222        0 0.000515        0
O4   .361346 .753736 .559120 .008197 .001371 .023242 0.001420 0.002941 0.000653
O5   .342041 .872215 .251104 .005330 .002035 .016180 0.000133 0.002114 0.002148
O6   .338652 .881436 .751406 .005038 .001985 .017666 -.000113 0.003241 -.002126
O7   .331460       0 .026425 .006405 .000947 .028009        0 0.002117        0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bridgmanite
 
Horiuchi H, Ito E, Weidner D J
Download am/vol72/AM72_357.pdf
American Mineralogist 72 (1987) 357-360
Perovskite-type MgSiO3: Single-crystal X-ray diffraction study
Locality: synthetic
_database_code_amcsd 0001071
4.7754 4.9292 6.8969 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Mg   .5141 .5560   .25 .00480 .00459 .00257  .00044      0       0
Si      .5     0    .5 .00296 .00298 .00100 -.00004 .00002 -.00009
O1   .1028 .4660   .25 .00376 .00472 .00090  .00011      0       0
O2   .1961 .2014 .5531 .00372 .00365 .00179  .00070 .00029  .00048
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co03
_database_code_amcsd 0001086
4.760 10.221 5.984 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .208  .0032  .0074  .0060  .0001 -.0006 -.0008
Mg1      0     0     0 .792  .0032  .0074  .0060  .0001 -.0006 -.0008
Co2  .9913 .2771   .25 .053  .0039  .0052  .0063  .0003      0      0
Mg2  .9913 .2771   .25 .947  .0039  .0052  .0063  .0003      0      0
Si   .4267 .0942   .25       .0021  .0056  .0053  .0002      0      0
O1   .7660 .0920   .25       .0027  .0069  .0065 -.0001      0      0
O2   .2200 .4470   .25       .0036  .0060  .0074 -.0001      0      0
O3   .2783 .1633 .0331       .0043  .0072  .0072  .0003 -.0006  .0018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co05
_database_code_amcsd 0001087
4.765 10.225 5.986 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .316  .0040  .0063  .0045 -.0002 -.0005 -.0011
Mg1      0     0     0 .684  .0040  .0063  .0045 -.0002 -.0005 -.0011
Co2  .9911 .2770   .25 .085  .0049  .0042  .0054  .0003      0      0
Mg2  .9911 .2770   .25 .915  .0049  .0042  .0054  .0003      0      0
Si   .4268 .0944   .25       .0029  .0041  .0043  .0001      0      0
O1   .7666 .0923   .25       .0033  .0072  .0058  .0005      0      0
O2   .2186 .4475   .25       .0053  .0044  .0067  .0001      0      0
O3   .2787 .1635 .0334       .0051  .0068  .0052  .0004 -.0002  .0016
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co10
_database_code_amcsd 0001088
4.771 10.245 5.988 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .675  .0043  .0062  .0046 -.0002 -.0005 -.0010
Mg1      0     0     0 .325  .0043  .0062  .0046 -.0002 -.0005 -.0010
Co2  .9909 .2767   .25 .278  .0051  .0043  .0052  .0002      0      0
Mg2  .9909 .2767   .25 .722  .0051  .0043  .0052  .0002      0      0
Si   .4274 .0948   .25       .0032  .0044  .0047  .0001      0      0
O1   .7674 .0930   .25       .0042  .0074  .0060  .0006      0      0
O2   .2160 .4477   .25       .0058  .0040  .0066 -.0001      0      0
O3   .2800 .1640 .0337       .0058  .0073  .0054  .0004 -.0004  .0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = 0.00
_database_code_amcsd 0001118
4.749 10.1985 5.9792 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0  .0173  .0078  .0127 -.0007 -.0047 -.0035
Mg2  .9913 .2773   .25  .0606  .0119  .0345 -.0004      0      0
Si   .4261 .0940   .25  .0337  .0104  .0269  .0004      0      0
O1   .7658 .0919   .25  .0397  .0143  .0390 -.0008      0      0
O2    .221 .4470   .25  .0530  .0101  .0404  .0012      0      0
O3   .2774 .1630 .0329  .0508  .0148  .0343  .0029 -.0000  .0053
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .30
_database_code_amcsd 0001119
4.7447 10.1993 5.9567 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .464  .0501  .0156  .0314 -.0005 -.0040 -.0025
Ni1      0     0     0 .536  .0501  .0156  .0314 -.0005 -.0040 -.0025
Mg2  .9903 .2761   .25 .936  .0593  .0118  .0381  .0009      0      0
Ni2  .9903 .2761   .25 .064  .0593  .0118  .0381  .0009      0      0
Si   .4257 .0937   .25       .0414  .0110  .0305  .0013      0      0
O1   .7662 .0926   .25       .0473  .0147  .0386  .0019      0      0
O2   .2193 .4461   .25       .0628  .0110  .0416  .0005      0      0
O3   .2761 .1628 .0321       .0629  .0149  .0354  .0005 -.0025  .0049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .36
_database_code_amcsd 0001120
4.7437 10.1947 5.9508 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .376  .0252  .0092  .0250 -.0001 -.0033 -.0023
Ni1      0     0     0 .624  .0252  .0092  .0250 -.0001 -.0033 -.0023
Mg2  .9902 .2758   .25   .9  .0351  .0077  .0315  .0008      0      0
Ni2  .9902 .2758   .25   .1  .0351  .0077  .0315  .0008      0      0
Si   .4257 .0935   .25       .0178  .0074  .0247  .0001      0      0
O1   .7667 .0925   .25       .0253  .0118  .0350  .0021      0      0
O2   .2196 .4459   .25       .0371  .0084  .0350 -.0012      0      0
O3   .2759 .1627 .0323       .0371  .0106  .0335 -.0008 -.0030  .0047
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .51
_database_code_amcsd 0001121
4.739 10.183 5.943 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .216  .0257  .0103  .0263 -.0001 -.0033 -.0022
Ni1      0     0     0 .784  .0257  .0103  .0263 -.0001 -.0033 -.0022
Mg2  .9906 .2752   .25 .764  .0379  .0090  .0334  .0010      0      0
Ni2  .9906 .2752   .25 .236  .0379  .0090  .0334  .0010      0      0
Si   .4256 .0936   .25       .0189  .0088  .0267  .0005      0      0
O1   .7669 .0932   .25       .0268  .0105  .0370 -.0002      0      0
O2   .2188 .4455   .25       .0353  .0082  .0405  .0012      0      0
O3   .2756 .1627 .0317       .0409  .0122  .0340  .0016 -.0014  .0046
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .69
_database_code_amcsd 0001122
4.7352 10.1612 5.9317 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .102  .0269  .0106  .0249 -.0003 -.0031 -.0025
Ni1      0     0     0 .898  .0269  .0106  .0249 -.0003 -.0031 -.0025
Mg2  .9912 .2744   .25 .518  .0332  .0085  .0308  .0007      0      0
Ni2  .9912 .2744   .25 .482  .0332  .0085  .0308  .0007      0      0
Si   .4263 .0938   .25       .0220  .0091  .0240  .0003      0      0
O1   .7675 .0931   .25       .0301  .0119  .0288  .0008      0      0
O2   .2190 .4452   .25       .0372  .0097  .0353 -.0013      0      0
O3   .2750 .1627 .0313       .0386  .0124  .0323  .0005 -.0019  .0041
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .75
_database_code_amcsd 0001123
4.7331 10.1565 5.9285 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .066  .0232  .0093  .0278 -.0004 -.0032 -.0023
Ni1      0     0     0 .934  .0232  .0093  .0278 -.0004 -.0032 -.0023
Mg2  .9916 .2743   .25 .434  .0287  .0069  .0343  .0006      0      0
Ni2  .9916 .2743   .25 .566  .0287  .0069  .0343  .0006      0      0
Si   .4265 .0938   .25       .0160  .0075  .0290  .0000      0      0
O1   .7678 .0934   .25       .0212  .0102  .0386 -.0002      0      0
O2   .2182 .4452   .25       .0321  .0072  .0425 -.0019      0      0
O3   .2748 .1629 .0311       .0379  .0108  .0319  .0014  .0015  .0017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001216
4.7458 10.1986 5.9563 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg1      0     0     0 .468 0.57
Ni1      0     0     0 .532 0.57
Mg2  .9900 .2761   .25 .932 0.62
Ni2  .9900 .2761   .25 .068 0.62
Si   .4257 .0936   .25      0.51
O1   .7660 .0924   .25      0.59
O2   .2202 .4461   .25      0.58
O3   .2763 .1626 .0326      0.62
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1150 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001217
4.7453 10.1926 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .495 0.50
Mg1      0     0     0 .505 0.50
Ni2  .9908 .2760   .25 .121 0.56
Mg2  .9908 .2760   .25 .879 0.56
Si   .4257 .0936   .25      0.43
O1   .7673 .0924   .25      0.55
O2   .2198 .4463   .25      0.53
O3   .2767 .1628 .0324      0.56
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1300 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001218
4.7452 10.1909 5.9583 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .478 0.61
Mg1      0     0     0 .522 0.61
Ni2  .9909 .2760   .25 .139 0.67
Mg2  .9909 .2760   .25 .861 0.67
Si   .4262 .0936   .25      0.54
O1   .7666 .0924   .25      0.56
O2   .2199 .4463   .25      0.59
O3   .2765 .1627 .0322      0.65
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001219
4.7466 10.2003 5.9556 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .533 0.60
Mg1      0     0     0 .467 0.60
Ni2  .9904 .2762   .25 .065 0.64
Mg2  .9904 .2762   .25 .935 0.64
Si   .4258 .0936   .25      0.53
O1   .7669 .0925   .25      0.62
O2   .2196 .4464   .25      0.63
O3   .2765 .1626 .0323      0.66
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, heated to 800 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001220
4.7459 10.1950 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .508 0.65
Mg1      0     0     0 .492 0.65
Ni2  .9906 .2760   .25 .089 0.70
Mg2  .9906 .2760   .25 .911 0.79
Si   .4261 .0936   .25      0.59
O1   .7667 .0927   .25      0.66
O2   .2210 .4462   .25      0.71
O3   .2760 .1628 .0321      0.73
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, synthesized at 890 C, then quenched
MgNiSiO4
_database_code_amcsd 0001221
4.7392 10.1939 5.9432 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .788 0.51
Mg1      0     0     0 .212 0.51
Ni2  .9901 .2751   .25 .246 0.59
Mg2  .9901 .2751   .25 .754 0.59
Si   .4252 .0936   .25      0.47
O1   .7670 .0929   .25      0.59
O2   .2186 .4455   .25      0.54
O3   .2762 .1627 .0324      0.59
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, heated to 1150 C, then quenched
MgNiSiO4
_database_code_amcsd 0001222
4.7431 10.1765 5.9401 90 90 90 Pbnm
atom     x     y     z occ Biso
Mg1      0     0     0 .29 0.51
Ni1      0     0     0 .71 0.51
Ni2  .9913 .2751   .25 .32 0.52
Mg2  .9913 .2751   .25 .68 0.52
Si   .4265 .0936   .25     0.47
O1   .7685 .0929   .25     0.51
O2   .2200 .4462   .25     0.56
O3   .2745 .1626 .0326     0.63
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, heated to 1300 C, then quenched
MgNiSiO4
_database_code_amcsd 0001223
4.7398 10.1773 5.9443 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .705 0.64
Mg1      0     0     0 .295 0.64
Ni2  .9911 .2752   .25 .294 0.67
Mg2  .9911 .2752   .25 .706 0.67
Si   .4262 .0936   .25      0.57
O1   .7669 .0926   .25      0.74
O2   .2194 .4462   .25      0.66
O3   .2765 .1622 .0320      0.70
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, synthesized at 900 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001224
4.7393 10.1620 5.9330 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .87 0.54
Mg1      0     0     0 .13 0.54
Ni2  .9912 .2748   .25 .47 0.57
Mg2  .9912 .2748   .25 .53 0.57
Si   .4259 .0930   .25     0.51
O1   .7692 .0930   .25     0.62
O2   .2174 .4454   .25     0.60
O3   .2760 .1629 .0319     0.73
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, heated to 800 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001225
4.7345 10.1623 5.9317 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .88 0.34
Mg1      0     0     0 .12 0.34
Ni2  .9917 .2744   .25 .50 0.39
Mg2  .9917 .2744   .25 .50 0.39
Si   .4266 .0937   .25     0.35
O1   .7677 .0936   .25     0.37
O2   .2194 .4455   .25     0.41
O3   .2735 .1626 .0314     0.41
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, heated to 1150 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001226
4.7370 10.1616 5.9337 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .864 0.54
Mg1      0     0     0 .136 0.54
Ni2  .9916 .2744   .25 .535 0.56
Mg2  .9916 .2744   .25 .465 0.56
Si   .4266 .0938   .25      0.50
O1   .7679 .0931   .25      0.59
O2   .2178 .4454   .25      0.57
O3   .2745 .1626 .0312      0.62
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.75, synthesized at 910 C, then quenched
Mg.505Ni1.492SiO4
_database_code_amcsd 0001227
4.7339 10.1583 5.9303 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .95 0.55
Mg1      0     0     0 .05 0.55
Ni2  .9919 .2742   .25 .60 0.60
Mg2  .9919 .2742   .25 .40 0.60
Si   .4266 .0938   .25     0.52
O1   .7669 .0932   .25     0.58
O2   .2189 .4451   .25     0.61
O3   .2744 .1627 .0315     0.58
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.75, heated to 1150 C, then quenched
Mg.505Ni1.492SiO4
_database_code_amcsd 0001228
4.7350 10.1526 5.9278 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .87 0.43
Mg1      0     0     0 .13 0.43
Ni2  .9918 .2745   .25 .59 0.45
Mg2  .9918 .2745   .25 .41 0.45
Si   .4267 .0938   .25     0.46
O1   .7684 .0929   .25     0.47
O2   .2198 .4449   .25     0.57
O3   .2750 .1630 .0319     0.52
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Oberti R, Ungaretti L, Grice J D
Download am/vol77/AM77_1112.pdf
American Mineralogist 77 (1992) 1112-1115
Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the
Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
Locality: Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
_database_code_amcsd 0001541
9.822 17.836 5.286 90 104.37 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .1100 .0905 .2154           0.0013 0.0006 0.0081 -.0001 0.0005 -.0001
O2   .1184 .1685 .7284           0.0016 0.0006 0.0083  .0001 0.0006 0.0004
O3   .1110     0 .6985           0.0023 0.0005 0.0111 -.0004 0.0005 -.0001
O4   .3623 .2504 .8027           0.0033 0.0004 0.0096 -.0003 0.0017      0
O5   .3486 .1281 .0850           0.0014 0.0008 0.0068  .0001 0.0006 0.0007
O6   .3436 .1193 .5854           0.0016 0.0008 0.0059      0 0.0005 -.0006
O7   .3338     0 .2983           0.0021 0.0003 0.0149      0 0.0007      0
Si1  .2780 .0862 .2944           0.0013 0.0003 0.0048      0 0.0004 -.0001
Si2  .2883 .1712 .8018           0.0011 0.0003 0.0050 -.0001 0.0005      0
Mg1      0 .0848    .5  .72      0.0017 0.0007 0.0061      0 0.0012      0
Fe1      0 .0848    .5  .28      0.0017 0.0007 0.0061      0 0.0012      0
Mg2      0 .1796     0  .28      0.0013 0.0003 0.0056      0 0.0006      0
Fe2      0 .1796     0  .72      0.0013 0.0003 0.0056      0 0.0006      0
Li3      0     0     0  .83      0.0023 0.0003 0.0065      0 -.0002      0
Mg3      0     0     0  .17      0.0023 0.0003 0.0065      0 -.0002      0
Na4      0 .2763    .5  .98      0.0037 0.0007 0.0160      0 0.0045      0
Ca4      0 .2763    .5  .02      0.0037 0.0007 0.0160      0 0.0045      0
NaA      0    .5     0  .85      0.0201 0.0009 0.0771      0 0.0384      0
Nam  .0399    .5 .0930 .038      0.0108 0.0016 0.0337      0 0.0149      0
Na2      0 .4766     0 .038 4.14
H    .1845     0 .7705
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferro-ferri-fluoro-leakeite
 
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
Download am/vol78/AM78_733.pdf
American Mineralogist 78 (1993) 733-745
Li: an important component in igneous alkali amphiboles
Sample: A(3), ferro-fluor-leakeite
Locality: Questa caldera, New Mexico
_database_code_amcsd 0001588
9.792 17.934 5.313 90 103.87 90 C2/m
atom       x     y     z  occ Biso
O1     .1107 .0906 .2088       .65
O2     .1198 .1715 .7368       .64
OH3    .1130     0 .7071  .15 1.12
F      .1130     0 .7071  .85 1.12
O4     .3652 .2497 .8013       .81
O5     .3507 .1284 .0836       .82
O6     .3417 .1201 .5805       .81
O7     .3356     0 .2992       .87
SiT1   .2797 .0858 .2918 .959  .46
AlT1   .2797 .0858 .2918 .041  .46
SiT2   .2903 .1707 .8024 .959  .45
AlT2   .2903 .1707 .8024 .041  .45
MgM1       0 .0888    .5 .250  .63
Fe2+M1     0 .0888    .5 .560  .63
MnM1       0 .0888    .5 .190  .63
Fe2+M2     0 .1811     0 .020  .53
Fe3+M2     0 .1811     0 .910  .53
TiM2       0 .1811     0 .040  .53
ZnM2       0 .1811     0 .030  .53
LiM3       0     0     0 .640  .67
MgM3       0     0     0 .040  .67
MnM3       0     0     0 .320  .67
NaM4       0 .2776    .5      1.11
KA         0    .5     0 .064 4.86
NaA        0    .5     0 .180 4.86
KAm    .0456    .5 .0973 .083 3.52
NaAm   .0456    .5 .0973 .230 3.52
KA2        0 .4693     0 .004 3.69
NaA2       0 .4693     0 .011 3.69
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferro-ferri-fluoro-leakeite
 
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
Download am/vol78/AM78_733.pdf
American Mineralogist 78 (1993) 733-745
Li: an important component in igneous alkali amphiboles
Sample: A(4), ferro-fluor-leakeite
Locality: Questa caldera, New Mexico
_database_code_amcsd 0001589
9.796 17.934 5.312 90 103.89 90 C2/m
atom       x     y     z  occ Biso
O1     .1107 .0904 .2093       .61
O2     .1197 .1714 .7363       .61
OH3    .1123     0 .7067  .20 1.03
F      .1123     0 .7067  .80 1.03
O4     .3651 .2498 .8012       .78
O5     .3505 .1284 .0834       .77
O6     .3420 .1202 .5806       .75
O7     .3358     0 .2987       .84
SiT1   .2797 .0858 .2920 .975  .42
AlT1   .2797 .0858 .2920 .025  .42
SiT2   .2902 .1707 .8025 .975  .41
AlT2   .2902 .1707 .8025 .025  .41
MgM1       0 .0888    .5 .300  .59
Fe2+M1     0 .0888    .5 .530  .59
MnM1       0 .0888    .5 .170  .59
Fe2+M2     0 .1810     0 .030  .48
Fe3+M2     0 .1810     0 .900  .48
TiM2       0 .1810     0 .035  .48
ZnM2       0 .1810     0 .035  .48
LiM3       0     0     0 .640  .66
MgM3       0     0     0 .040  .66
MnM3       0     0     0 .320  .66
NaM4       0 .2775    .5      1.17
KA         0    .5     0 .065 4.69
NaA        0    .5     0 .178 4.69
KAm    .0447    .5 .0963 .082 3.25
NaAm   .0447    .5 .0963 .224 3.25
KA2        0 .4661     0 .005 2.06
NaA2       0 .4661     0 .013 2.06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferro-ferri-fluoro-leakeite
 
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
Download am/vol78/AM78_733.pdf
American Mineralogist 78 (1993) 733-745
Li: an important component in igneous alkali amphiboles
Sample: A(5), ferro-fluor-leakeite
Locality: Questa caldera, New Mexico
_database_code_amcsd 0001590
9.792 17.935 5.314 90 103.85 90 C2/m
atom       x     y     z  occ Biso
O1     .1108 .0907 .2088       .59
O2     .1200 .1718 .7373       .62
OH3    .1130     0 .7075  .20 1.08
F      .1130     0 .7075  .80 1.08
O4     .3654 .2496 .8011       .78
O5     .3506 .1284 .0831       .79
O6     .3416 .1202 .5804       .74
O7     .3352     0 .2987       .85
SiT1   .2796 .0859 .2916 .966  .44
AlT1   .2796 .0859 .2916 .034  .44
SiT2   .2904 .1708 .8026 .966  .42
AlT2   .2904 .1708 .8026 .034  .42
MgM1       0 .0889    .5 .210  .61
Fe2+M1     0 .0889    .5 .590  .61
MnM1       0 .0889    .5 .200  .61
Fe3+M2     0 .1811     0 .930  .50
TiM2       0 .1811     0 .035  .50
ZnM2       0 .1811     0 .035  .50
LiM3       0     0     0 .630  .64
MgM3       0     0     0 .040  .64
MnM3       0     0     0 .330  .64
NaM4       0 .2776    .5      1.13
KA         0    .5     0 .060 5.58
NaA        0    .5     0 .165 5.58
KAm    .0449    .5 .0989 .082 3.54
NaAm   .0449    .5 .0989 .224 3.54
KA2        0 .4734     0 .006 2.17
NaA2       0 .4734     0 .017 2.17
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A1
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001655
9.748 17.842 5.287 90 104.12 90 C2/m
atom     x     y     z  occ Biso
Si1  .2811 .0857 .2929       .41
Si2  .2889 .1710 .7998       .42
Mg1      0 .0823    .5  .57  .72
Al1      0 .0823    .5 .025  .72
Ti1      0 .0823    .5 .205  .72
Fe1      0 .0823    .5  .13  .72
Mn1      0 .0823    .5  .07  .72
Mg2      0 .1796     0 .415  .48
Al2      0 .1796     0 .045  .48
Fe2      0 .1796     0  .35  .48
Mn2      0 .1796     0  .19  .48
Li3      0     0     0  .67  .69
Mg3      0     0     0  .33  .69
Na4      0 .2751    .5  .95 1.17
Ca4      0 .2751    .5  .05 1.17
NaA      0    .5     0  .16  6.5
KA       0    .5     0  .03  6.5
NaAm .0508    .5 .1091  .16 2.87
KAm  .0508    .5 .1091  .03 2.87
NaA2     0 .4680     0  .16 4.68
KA2      0 .4680     0  .03 4.68
H    .1867     0 .7577 .485 2.65
O1   .1115 .0886 .2159       .63
O2   .1178 .1668 .7270       .60
O3   .1104     0 .6965  .41  .76
Oh3  .1104     0 .6965 .485  .76
F3   .1104     0 .6965 .105  .76
O4   .3605 .2508 .8018       .80
O5   .3500 .1280 .0816       .74
O6   .3456 .1198 .5823       .73
O7   .3394     0 .2979       .84
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A2
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001656
9.790 17.848 5.287 90 104.10 90 C2/m
atom     x     y     z occ Biso
Si1  .2785 .0862 .2934 .99  .43
Al1  .2785 .0862 .2934 .01  .43
Si2  .2889 .1712 .8023 .99  .43
Al2  .2889 .1712 .8023 .01  .43
Mg1      0 .0865    .5 .83  .54
Al1      0 .0865    .5 .04  .54
Fe1      0 .0865    .5 .10  .54
Mn1      0 .0865    .5 .03  .54
Mg2      0 .1796     0 .16  .48
Al2      0 .1796     0 .05  .48
Fe2      0 .1796     0 .61  .48
Mn2      0 .1796     0 .18  .48
Li3      0     0     0 .74  .79
Mg3      0     0     0 .26  .79
Na4      0 .2764    .5 .98 1.14
Ca4      0 .2764    .5 .02 1.14
NaA      0    .5     0 .15 3.01
KA       0    .5     0 .04 3.01
NaAm .0480    .5 .1028 .15 2.28
KAm  .0480    .5 .1028 .04 2.28
NaA2     0 .4744     0 .15 4.87
KA2      0 .4744     0 .04 4.87
H    .1826     0 .7335 .64 2.55
O1   .1102 .0905 .2146      .65
O2   .1186 .1694 .7315      .66
O3   .1115     0 .7002 .11  .96
Oh3  .1115     0 .7002 .64  .96
F3   .1115     0 .7002 .24  .96
O4   .3632 .2504 .8018      .81
O5   .3497 .1285 .0851      .77
O6   .3435 .1192 .5845      .73
O7   .3348     0 .2963      .93
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferri-leakeite
Download hom/ferrileakeite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
Download am/vol79/AM79_443.pdf
American Mineralogist 79 (1994) 443-451
The mechanism of Li incorporation in amphiboles
Sample: A3
Note: Site occupancies are set to be the same as ones in sample A2
Locality: Kajlidongri, Madhya Pradesh, India
_database_code_amcsd 0001657
9.822 17.836 5.286 90 104.37 90 C2/m
atom     x     y     z occ Biso
Si1  .2780 .0862 .2944 .99  .46
Al1  .2780 .0862 .2944 .01  .46
Si2  .2883 .1712 .8018 .99  .45
Al2  .2883 .1712 .8018 .01  .45
Mg1      0 .0848    .5 .83  .70
Al1      0 .0848    .5 .04  .70
Fe1      0 .0848    .5 .10  .70
Mn1      0 .0848    .5 .03  .70
Mg2      0 .1796     0 .16  .50
Al2      0 .1796     0 .05  .50
Fe2      0 .1796     0 .61  .50
Mn2      0 .1796     0 .18  .50
Li3      0     0     0 .74  .69
Mg3      0     0     0 .26  .69
Na4      0 .2763    .5 .98 1.21
Ca4      0 .2763    .5 .02 1.21
NaA      0    .5     0 .15 4.51
KA       0    .5     0 .04 4.51
NaAm .0399    .5 .0930 .15 2.81
KAm  .0399    .5 .0930 .04 2.81
NaA2     0 .4766     0 .15 4.14
KA2      0 .4766     0 .04 4.14
H    .1845     0 .7705 .64 3.11
O1   .1100 .0905 .2154      .71
O2   .1184 .1685 .7284      .76
O3   .1110     0 .6975 .11  .91
Oh3  .1110     0 .6975 .64  .91
F3   .1110     0 .6975 .24  .91
O4   .3623 .2504 .8027      .89
O5   .3486 .1281 .0850      .74
O6   .3436 .1193 .5854      .74
O7   .3338     0 .2983      .94
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Majorite
Download hom/majorite.pdf
Hazen R M, Downs R T, Finger L W, Conrad P G, Gasparik T
Download am/vol79/AM79_581.pdf
American Mineralogist 79 (1994) 581-584
Crystal chemistry of Ca-bearing majorite
Locality: synthetic
_database_code_amcsd 0001663
11.5816 11.5816 11.5288 90 90 90 *I4_1/a
.5 .25 .125
atom      x      y     z  occ Biso
MgD1  .1265  .0137 .2576 .917  .83
CaD1  .1265  .0137 .2576 .083  .83
MgD2      0    .25 .6258 .677 2.20
CaD2      0    .25 .6258 .323 2.20
MgO1      0      0    .5       .44
SiO2      0      0     0       .44
SiT1      0    .25  .375       .59
SiT2      0    .25  .875       .59
SiT3  .1259  .0072 .7575       .59
O1    .0251  .0524 .6666       .61
O2    .0420 -.0462 .8635       .61
O3    .2212  .1100 .7934       .61
O4    .2172 -.0839 .7026       .61
O5   -.0530  .1585 .4697       .61
O6   -.1024  .2141 .7842       .61
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Augite
Download hom/augite.pdf
Clark J, Appleman D, Papike J
 
Mineralogical Society of America Special Paper 2 (1969) 31-50
Crystal-chemical characterization of clinopyroxenes based on eight new
structure refinements
Locality: Kakanui, New Zealand
_cod_database_code 1000035
_database_code_amcsd 0000001
9.699 8.844 5.272 90 106.97 90 C2/c
atom     x     y     z  occ
Na1      0 .2952   .25  .09
Ca1      0 .2952   .25 .616
Mg1      0 .9063   .25 .715
Mg2      0 .2952   .25 .187
Fe1      0 .2952   .25 .107
Fe2      0 .9063   .25 .103
Al1      0 .9063   .25 .182
Al2  .2896 .0924 .2353  .08
Ti1  .2896 .0924 .2353  .01
Si1  .2896 .0924 .2353  .91
O1   .1150 .0865 .1402
O2   .3647 .2530 .3260
O3   .3256 .0185 .0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grunerite
Download hom/grunerite.pdf
Finger L W
 
Mineralogical Society of America Special Paper 2 (1969) 95-100
The crystal structure and cation distribution of a grunerite
Locality: Wabush iron formation, Labrador, Canada
_database_code_amcsd 0000002
9.5642 18.393 5.3388 90 101.892 90 C2/m
atom     x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0 .08781    .5 .848  .51  .0012 .00055 .0036       0  .0008      0
Mg1      0 .08781    .5 .152  .51  .0012 .00055 .0036       0  .0008      0
Fe2      0 .17936     0 .773  .51  .0012 .00048 .0045       0  .0008      0
Mg2      0 .17936     0 .227  .51  .0012 .00048 .0045       0  .0008      0
Fe3      0      0     0 .888  .56  .0014 .00050 .0045       0  .0003      0
Mg3      0      0     0 .112  .56  .0014 .00050 .0045       0  .0003      0
Fe4      0 .25741    .5 .985  .92  .0019 .00096 .0080       0  .0017      0
Mg4      0 .25741    .5 .015  .92  .0019 .00096 .0080       0  .0017      0
Si1  .2867  .0836 .2707       .44  .0009 .00041 .0040 -.00003  .0002  .0000
Si2  .2993  .1667 .7780       .49  .0010 .00038 .0054 -.00019  .0003  .0000
O1   .1120  .0882 .2044       .67  .0013  .0006 .0065       0  .0007  .0003
O2   .1253  .1735 .7142       .59  .0009  .0006 .0068  -.0001  .0011 -.0003
OH3  .1147      0 .7035  .75 1.09  .0042  .0007 .0092       0  .0023      0
F3   .1147      0 .7035  .25 1.09  .0042  .0007 .0092       0  .0023      0
O4   .3839  .2416 .7689       .58  .0020  .0004 .0041  -.0001 -.0002  .0002
O5   .3483  .1275 .0519       .77  .0008  .0008 .0090  -.0003  .0009  .0015
O6   .3478  .1182 .5530       .86  .0009  .0012 .0055   .0004 -.0001 -.0009
O7   .3376      0 .2700       .74  .0019  .0000 .0146       0  .0021      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Gruner J W
Download am/vol19/AM19_557.pdf
American Mineralogist 19 (1934) 557-575
The structures of vermiculites and their collapse by dehydration
Locality: Structure results from data of many samples
_database_code_amcsd 0000012
5.31 9.20 28.46 90 97.14 90 Cc
atom    x    y    z
Mg1     0    0    0
Mg2     0  1/3    0
Mg3     0  2/3    0
Si1  .397    0 .094
Si2  .897  1/6 .094
Si3  .603    0 .406
Si4  .103  1/6 .406
OH1  .858  5/6 .039
OH2  .142  5/6 .461
O1   .858   .5 .039
O2   .858  1/6 .039
O3   .161 1/12 .115
O4   .661 1/12 .115
O5   .911  1/3 .115
O6   .839 1/12 .385
O7   .339 1/12 .385
O8   .089  1/3 .385
O9   .142   .5 .461
O10  .142  1/6 .461
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Hendricks S B, Jefferson M E
Download am/vol23/AM23_851.pdf
American Mineralogist 23 (1938) 851-862
Crystal structure of vermiculites and mixed vermiculite-chlorites
_database_code_amcsd 0000019
5.33 9.18 28.85 90 93.25 90 Cc
atom     x     y     z
Mg1      0     0     0
Mg2      0   1/3     0
Mg3      0   2/3     0
OH1   .180    .5  .040
OH2  -.180   5/6 -.040
O1    .180   5/6  .040
O2   -.180    .5 -.040
O3    .180   1/6  .040
O4   -.180   1/6 -.040
O5   -.048   .75  .115
O6    .048 .5833 -.115
O7    .452   .75  .115
O8   -.452 .5833 -.115
O9    .202     0  .115
O10  -.202   1/3 -.115
Si1   .196   5/6  .095
Si2  -.196    .5 -.095
Si3  -.304   2/3  .095
Si4   .304   2/3 -.095
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Phlogopite
Download hom/phlogopite.pdf
Hendricks S B, Jefferson M E
Download am/vol24/AM24_729.pdf
American Mineralogist 24 (1939) 729-771
Polymorphism of the micas with optical measurements
Note: Biotite group
_database_code_amcsd 0000024
5.32 9.21 10.16 90 100.03 90 Cm
atom   x   y   z occ
K    .45 .50 .84
Mg1  .44 .33 .34
Mg2  .44 .00 .34
Si1  .02 .33 .06 .75
Si2  .37 .17 .62 .75
Al1  .02 .33 .06 .25
Al2  .37 .17 .62 .25
O1   .25 .25 .00
O2   .08 .33 .22
O3   .32 .17 .46
O4   .14 .25 .68
O5   .00 .50 .00
O6   .39 .00 .68
OH1  .08 .00 .22 .50
OH2  .32 .50 .46 .50
F1   .08 .00 .22 .50
F2   .32 .50 .46 .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Phlogopite
Download hom/phlogopite.pdf
Hendricks S B, Jefferson M E
Download am/vol24/AM24_729.pdf
American Mineralogist 24 (1939) 729-771
Polymorphism of the micas with optical measurements
Note: data is reproduced from Jackson and West (1930)
Note: Biotite group
_database_code_amcsd 0000025
5.32 9.21 20.08 90 95 90 C2/c
atom     x     y    z occ
K        0  .083  .25
Mg1    .25  .083    0
Mg2    .75   .25    0
Si1  -.033 -.250 .135 .75
Si2  -.033  .417 .135 .75
Al1  -.033 -.250 .135 .25
Al2  -.033  .417 .135 .25
O1    .228  .333 .164
O2    .228 -.167 .164
O3    .480  .083 .164
O4   -.062 -.167 .055
O5   -.062  .417 .055
OH   -.062  .083 .058 .50
F    -.062  .083 .058 .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Phlogopite
Download hom/phlogopite.pdf
Hendricks S B, Jefferson M E
Download am/vol24/AM24_729.pdf
American Mineralogist 24 (1939) 729-771
Polymorphism of the micas with optical measurements
Note: Biotite group
_database_code_amcsd 0000026
5.3 5.3 30.0 90 90 120 P3_112
atom    x     y    z occ
K     1/9 .0556    0
Mg1   1/9   2/9  1/6
Mg3  -2/9  -4/9  1/6
Mg3   4/9   8/9  1/6
Si1  -.22   .22 .078 .75
Si2   .44  -.44 .078 .75
Al1  -.22   .22 .078 .25
Al2   .44  -.44 .078 .25
O1    .11   .39  .06
O2   -.39  -.11  .06
O3   -.39   .39  .06
O4   -.22   .22  .13
O5    .44  -.44  .13
OH    .11  -.11  .13 .50
F     .11  -.11  .13 .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lepidolite
Download hom/lepidolite.pdf
Hendricks S B, Jefferson M E
Download am/vol24/AM24_729.pdf
American Mineralogist 24 (1939) 729-771
Polymorphism of the micas with optical measurements
_database_code_amcsd 0000027
9.2 5.3 60.0 90 90. 90 Cc
atom     x     y     z occ
K1       0 .3333 .0825
K2   .3333 .6667 .2492
K3   .1667 .8333 .4158
Mg1      0     0     0
Mg2      0     0 .1667
Mg3      0     0 .3333
Mg4  .1667    .5     0
Mg5  .1667    .5 .1667
Mg6  .1667    .5 .3333
Mg7  .3333     0     0
Mg8  .3333     0 .1667
Mg9  .3333     0 .3333
Si1  .3333 .3333 .0440 .75
Si2      0 .6667 .2107 .75
Si3      0 .3333 .3773 .75
Si4  .1667 .8333 .0440 .75
Si5  .1667 .1667 .2107 .75
Si6  .3333 .3333 .3773 .75
Si7      0 .6667 -.044 .75
Si8  .1667 .8333 .1227 .75
Si9      0 .6667 .2893 .75
Si10 .3333 .6667 -.044 .75
Si11 .3333 .3333 .1227 .75
Si12 .1667 .1667 .2893 .75
Al1  .3333 .3333 .0440 .25
Al2      0 .6667 .2107 .25
Al3      0 .3333 .3773 .25
Al4  .1667 .8333 .0440 .25
Al5  .1667 .1667 .2107 .25
Al6  .3333 .3333 .3773 .25
Al7      0 .6667 -.044 .25
Al8  .1667 .8333 .1227 .25
Al9      0 .6667 .2893 .25
Al10 .3333 .6667 -.044 .25
Al11 .3333 .3333 .1227 .25
Al12 .1667 .1667 .2893 .25
O1     .25 .0833 .0530
O2   .0833 .4167 .2197
O3   .1667 .3333 .3863
O4     .25 .5833 .0530
O5   .3333 .1667 .2197
O6   .4167 .0833 .3863
O7      .5 .3333 .0530
O8   .0833 .5833 .2197
O9   .4167 .5833 .3863
O10  .3333 .3333 .0170
O11      0 .6667 .1837
O12      0 .3333 .3503
O13  .1667 .8333 .0170
O14  .1667 .1667 .1837
O15  .3333 .3333 .3503
O16      0 .6667 -.017
O17  .1667 .8333 .1497
O18      0 .6667 .3163
O19  .3333 .6667 -.017
O20  .3333 .3333 .1497
O21  .1667 .1667 .3163
O22  .1667 .6667 -.053
O23      0 .8333 .1137
O24  .0833 .4167 .2803
O25  .4167 .4167 -.053
O26    .25 .0833 .1137
O27  .0833 .5833 .2803
O28  .4167 .5833 -.053
O29    .25 .5833 .1137
O30  .3333 .1667 .2803
OH1      0 .3333 .0170 .50
OH2  .3333 .6667 .1837 .50
OH3  .1667 .8333 .3503 .50
OH4  .1667 .1667 -.017 .50
OH5      0 .3333 .1497 .50
OH6  .3333 .6667 .3163 .50
F1       0 .3333 .0170 .50
F2   .3333 .6667 .1837 .50
F3   .1667 .8333 .3503 .50
F4   .1667 .1667 -.017 .50
F5       0 .3333 .1497 .50
F6   .3333 .6667 .3163 .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Biotite
Download hom/biotite.pdf
Hendricks S B, Jefferson M E
Download am/vol24/AM24_729.pdf
American Mineralogist 24 (1939) 729-771
Polymorphism of the micas with optical measurements
_database_code_amcsd 0000028
5.3 5.3 60.0 90 90 120 P-1
atom     x     y     z occ
K1       0 .1667 .0825
K2   .3333 .1667 .2492
K3   .3333    .5 .4158
Mg1  .3333 .1667     0
Mg2      0    .5     0
Mg3  .3333 .1667    .5
Mg4      0    .5    .5
Mg5      0 .8333 .1667
Mg6  .6667 .1667 .1667
Mg7  .3333    .5 .1837
Mg8      0 .1667    .5
Mg9  .3333 .8333 .3333
Mg10 .6667    .5 .3503
Si1  .3333 .8333 .0440 .75
Si2  .6667    .5 .0440 .75
Si3      0 .1667 .5440 .75
Si4  .3333 .8333 .5440 .75
Si5  .6667 .8333 .2107 .75
Si6      0    .5 .2107 .75
Si7  .6667    .5 .1227 .75
Si8  .3333 .8333 .1227 .75
Si9      0 .8333 .3773 .75
Si10 .6667 .1667 .3773 .75
Si11     0    .5 .2893 .75
Si12 .6667 .8333 .2893 .75
Al1  .3333 .8333 .0440 .25
Al2  .6667    .5 .0440 .25
Al3      0 .1667 .5440 .25
Al4  .3333 .8333 .5440 .25
Al5  .6667 .8333 .2107 .25
Al6      0    .5 .2107 .25
Al7  .6667    .5 .1227 .25
Al8  .3333 .8333 .1227 .25
Al9      0 .8333 .3773 .25
Al10 .6667 .1667 .3773 .25
Al11     0    .5 .2893 .25
Al12 .6667 .8333 .2893 .25
O1   .3333 .8333 .0170
O2   .6667    .5 .0170
O3       0 .6667 .0530
O4      .5 .6667 .0530
O5      .5 .1667 .0530
O6       0 .1667 .5170
O7   .3333 .8333 .5170
O8   .1667     0 .5530
O9   .6667     0 .5530
O10  .1667    .5 .5530
O11  .6667 .8333 .1837
O12      0    .5 .1837
O13  .6667    .5 .1497
O14  .3333 .8333 .1497
O15  .8333 .6667 .2197
O16  .8333 .1667 .2197
O17  .3333 .6667 .2197
O18      0 .6667 .1137
O19     .5 .6667 .1137
O20     .5 .1667 .1137
O21      0 .8333 .3503
O22  .6667 .1667 .3503
O23      0    .5 .3163
O24  .6667 .8333 .3163
O25  .8333     0 .3863
O26  .3333     0 .3863
O27  .8333    .5 .3863
O28  .8333 .1667 .2803
O29  .8333 .6667 .2803
O30  .3333 .6667 .2803
OH1      0 .1667 .0170 .50
OH2  .6667    .5 .5170 .50
OH3  .3333 .1667 .1837 .50
OH4      0 .1667 .1497 .50
OH5  .3333    .5 .3503 .50
OH6  .3333 .1667 .3163 .50
F1       0 .1667 .0170 .50
F2   .6667    .5 .5170 .50
F3   .3333 .1667 .1837 .50
F4       0 .1667 .1497 .50
F5   .3333    .5 .3503 .50
F6   .3333 .1667 .3163 .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dravite
Download hom/dravite.pdf
Hamburger G E, Buerger M J
Download am/vol33/AM33_532.pdf
American Mineralogist 33 (1948) 532-540
The structure of tourmaline
Locality: de Kalb, New York, USA
_database_code_amcsd 0000045
15.951 15.951 7.24 90 90 120 R3m
atom    x     y    z
NaX     0     0 .770
MgY  .133 .0665 .255
AlZ  .050 .3670 .825
SiT  .192 .1920 .624
B    .117 .2340    0
OH1     0     0 .403
O2   .058 .1160    0
OH3  .233 .1165 .032
O4   .142 .0710 .624
O5   .102 .2040 .742
O6   .200 .2000 .403
O7   .279 .2460 .758
O8   .058 .2920    0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Melilite
 
Smith J V
Download am/vol38/AM38_643.pdf
American Mineralogist 38 (1953) 643-661
Reexamination of the crystal structure of melilite
_database_code_amcsd 0000058
7.789 7.789 5.018 90 90 90 P-42_1m
atom     x     y     z occ
Ca   .3355 .1645 .5073 .85
Na   .3355 .1645 .5073 .10
K    .3355 .1645 .5073 .05
Si   .1396 .3604 .9412
Mg       0     0     0 .50
Al       0     0     0 .40
O1      .5     0 .1804
O2   .1450 .3550 .2583
O3   .0820 .1820 .7909
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Mathieson A M, Walker G F
Download am/vol39/AM39_231.pdf
American Mineralogist 39 (1954) 231-255
Crystal structure of magnesium-vermiculite
_database_code_amcsd 0000063
5.33 9.18 28.90 90 97 90 Cc
atom    x     y    z  occ
Mg1     0     0    0 .393
Fe1     0     0    0 .080
Al1     0     0    0 .027
Mg2     0 .3330    0 .393
Fe2     0 .3330    0 .080
Al2     0 .3330    0 .027
Mg3     0 .6670    0 .393
Fe3     0 .6670    0 .080
Al3     0 .6670    0 .027
Si1  .397     0 .096 .680
Al4  .397     0 .096 .320
Si2  .397 .3330 .097 .680
Al5  .397 .3330 .097 .320
Mg4    .5     0  .25 .053
Mg5    .5 .3330  .25 .053
Mg6    .5 .6670  .25 .053
O1   .358     0 .037
O2   .358 .3330 .037
O3   .358 .6670 .037
O4   .147 .4040 .114
O5   .147 .9290 .114
O6   .434 .1670 .114
OH7  .160 -.019 .213
OH8  .160 .3520 .213
OH9  .105 .6670 .213
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Phlogopite
Download hom/phlogopite.pdf
Pabst A
Download am/vol40/AM40_967.pdf
American Mineralogist 40 (1955) 967-974
Redescription of the single layer structure of the micas
_database_code_amcsd 0000077
5.32 9.21 10.16 90 100.03 90 C2/m
atom    x   y   z occ
K       0  .5   0
Mg1     0   0  .5
Mg2     0 .33  .5
Si   .575 .33 .22 .75
Al   .575 .33 .22 .25
O1   .055   0 .16
O2   .805 .25 .16
O3   .630 .33 .38
OH   .630   0 .38
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Osumilite
Download hom/osumilite.pdf
Miyashiro A
Download am/vol41/AM41_104.pdf
American Mineralogist 41 (1956) 104-116
Osumilite, a new silicate mineral, and its crystal structure
_database_code_amcsd 0000078
10.17 10.17 14.34 90 90 120 P6/mcc
atom     x    y   z occ
K        0    0 .25 .32
Na       0    0 .25 .35
Ca       0    0 .25 .12
Mg     1/3  2/3 .25 .74
Fe1    1/3  2/3 .25 .26
Al      .5    0 .25 .65
Fe2     .5    0 .25 .35
Si    .100 .350 .11 .75
Al    .100 .350 .11 .25
O1    .130 .420   0
O2    .210 .290 .12
O3    .130 .470 .17
H2O      0    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 (permalink)
 
Perrierite-(Ce)
Download hom/perrieritece.pdf
Gottardi G
Download am/vol45/AM45_1.pdf
American Mineralogist 45 (1960) 1-14
The crystal structure of perrierite
_database_code_amcsd 0000090
13.61 5.62 11.63 90 113.47 90 C2/m
atom     x   y    z  occ Biso
Si1  .4085   0 .734  .96  .65
Al1  .4085   0 .734  .04  .65
Si2  .1615   0 .546  .96  .65
Al2  .1615   0 .546  .04  .65
Ti       0 .25    0       .65
Ti     .27   0    0  .74  .65
Fe     .27   0    0  .12  .65
Mg     .27   0    0  .12  .65
Fe       0  .5   .5  .63  .65
Ca       0  .5   .5  .34  .65
Ce1   .238   0 .266 .578  .65
La1   .238   0 .266 .125  .65
Y1    .238   0 .266 .040  .65
Th1   .238   0 .266 .048  .65
Ca1   .238   0 .266 .133  .65
Na1   .238   0 .266 .078  .65
Ce2   .047   0 .742 .578  .65
La2   .047   0 .742 .125  .65
Y2    .047   0 .742 .040  .65
Th2   .047   0 .742 .048  .65
Ca2   .047   0 .742 .133  .65
Na2   .047   0 .742 .078  .65
O1    .085 .25 .194       .65
O2    .291 .25 .123       .65
O3   .3745 .25 .400       .65
O4    .103   0 .997       .65
O5    .397   0 .003       .65
O6    .492   0 .660       .65
O7    .286   0 .657       .65
O8   .1385   0 .399       .65
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Phlogopite
Download hom/phlogopite.pdf
Steinfink H
Download am/vol47/AM47_886.pdf
American Mineralogist 47 (1962) 886-889
Crystal structure of a trioctahedral mica: Phlogopite
_database_code_amcsd 0000114
5.36 9.29 10.41 90 100.0 90 C2/m
atom     x     y     z occ Biso
K        0     0     0 .90 2.22
Mn       0     0     0 .10 2.22
Mg1      0    .5    .5     1.39
Mg2      0 .8333    .5     1.39
Si   .5766 .1679 .2261 .75 2.42
Fe   .5766 .1679 .2261 .25 2.73
O1   .8338 .2229 .1692     2.79
O2   .6273 .1682 .3900     2.79
O3   .4963     0 .1700     2.79
OH4  .1354     0 .3955     2.79
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinochlore
Download hom/clinochlore.pdf
Brown B E, Bailey S W
Download am/vol48/AM48_42.pdf
American Mineralogist 48 (1963) 42-61
Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite
Note: variety called kammererite
_database_code_amcsd 0000119
5.338 9.247 14.435 90.0 97.08 90.0 C-1
atom     x     y    z occ
Mg1      0     0    0
Mg2  -.001  .333 .002
Mg3   .003  .166 .504
Mg4      0    .5   .5  .1
Al4      0    .5   .5  .2
Cr4      0    .5   .5  .7
Si1   .400  .001 .191  .6
Al1   .400  .001 .191  .4
Si2   .894  .167 .191  .9
Al2   .894  .167 .191  .1
O1    .360 -.004 .075
O2    .860  .171 .076
OH1   .381  .333 .074
O3    .133  .065 .232
O4    .645  .100 .232
O5    .931  .328 .234
OH2   .154 -.002 .432
OH3   .129  .339 .428
OH4   .653  .164 .428
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Haase D J, Weiss E J, Steinfink H
Download am/vol48/AM48_261.pdf
American Mineralogist 48 (1963) 261-270
The crystal structure of a hexamethylene-diamine-vermiculite complex
_database_code_amcsd 0000122
5.33 9.18 17.12 90 97.0 90 C2
atom      x     y     z
Mg1       0     0     0
Mg2       0  .333     0
Mg3       0  .667     0
Si1   .3967 .9920 .1607
Si2   .3967 .3330 .1607
Ob    .3579 .9920 .0624
Ob    .3579 .3480 .0624
Ob    .3579 .6617 .0624
O1    .4322 .1775 .1775
O2    .1482 .4040 .1960
O3    .1482 .9290 .1960
N1    .3200 .1600 .3300
C1    .1500 .1875 .3925
C2    .1300 .3475 .4035
C3   -.0400 .3750 .4690
C4   -.0600 .5350 .4800
C5   -.2300 .5625 .5455
C6      .75 .7225 .5565
N2   -.4200   .75 .6190
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Greenalite
Download hom/greenalite.pdf
Shirozu H, Bailey S W
Download am/vol50/AM50_868.pdf
American Mineralogist 50 (1965) 868-885
Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite
_database_code_amcsd 0000136
5.390 9.336 14.166 90 90.0 90 C2/m
atom     x    y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0    0     0  .67       .0074  .0035  .0029 -.0020 -.0008  .0002
Mg1      0    0     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Al1      0    0     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Fe2      0  1/3     0  .67       .0074  .0035  .0029 -.0020 -.0008  .0002
Mg2      0  1/3     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Al2      0  1/3     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Fe3      0    0   1/2  .47       .0082  .0027  .0029 -.0018 -.0010 -.0001
Mg3      0    0   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Al3      0    0   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Fe4      0  1/3   1/2  .47       .0082  .0027  .0029 -.0018 -.0010 -.0001
Mg4      0  1/3   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Al4      0  1/3   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Si   .3328  1/3 .1949  .67 1.42
Al   .3328  1/3 .1949  .33 1.42
O1   .3349  1/3 .0770      1.89
OH1  .3349    0 .0770      1.89
O2    .094 .236  .236      2.13
O3    .310  1/2  .236      1.51
OH2  .1656  1/6 .4303      2.58
OH3  .1656  1/2 .4303      2.58
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Gibbs G V, Smith J V
Download am/vol50/AM50_2023.pdf
American Mineralogist 50 (1965) 2023-2039
Refinement of the crystal structure of synthetic pyrope
refinement D, note that temperature factors reported for Si were labelled
incorrectly in the paper
_database_code_amcsd 0000142
11.459 11.459 11.459 90 90 90 Ia-3d
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Al        0      0      0 .00060 .00060 .00060 .00004  .00004  .00004
Mg     .125      0    .25 .00102 .00167 .00167      0       0  .00041
Si     .375      0    .25 .00056 .00046 .00046      0       0       0
O    .03284 .05014 .65330 .00099 .00103 .00078 .00013 -.00014 -.00009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cummingtonite
Download hom/cummingtonite.pdf
Fischer K F
Download am/vol51/AM51_814.pdf
American Mineralogist 51 (1966) 814-818
A further refinement of the crystal structure of cummingtonite
(Mg,Fe)7(Si4O11)2(OH)2
_database_code_amcsd 0000145
9.51 18.19 5.33 90 101.9 90 C2/m
atom     x     y     z occ Biso
Si1  .2874 .0842 .2746      .36
Si2  .2977 .1688 .7817      .43
Mg1      0 .0872   1/2 .84  .38
Fe1      0 .0872   1/2 .16  .38
Mg2      0 .1773     0 .95  .36
Fe2      0 .1773     0 .05  .36
Mg3      0     0     0 .84  .30
Fe3      0     0     0 .16  .30
Mg4      0 .2597   1/2 .13  .79
Fe4      0 .2597   1/2 .87  .79
O1   .1135 .0874 .2087      .56
O2   .1232 .1721 .7193      .67
O3   .1134     0 .7067      .81
O4   .3798 .2460 .7716      .89
O5   .3514 .1310 .0659      .89
O6   .3488 .1185 .5597     1.01
O7   .3417     0 .2719      .88
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mizzonite
 
Papike J J, Stephenson N C
Download am/vol51/AM51_1014.pdf
American Mineralogist 51 (1966) 1014-1027
The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite
_database_code_amcsd 0000148
12.169 12.169 7.569 90 90 90 I4/m
atom     x     y     z occ Biso
Ca   .1428 .2170     0 .67 1.13
Na   .1428 .2170     0 .19 1.13
K    .1428 .2170     0 .11 1.13
Mg   .1428 .2170     0 .03 1.13
Si1  .3391 .4084     0 .71 -.08
Al1  .3391 .4084     0 .29 -.08
Si2  .3393 .0866 .2069 .48  .03
Al2  .3393 .0866 .2069 .52  .03
O1   .4581 .3480     0      .58
O2   .3120 .1280     0      .87
O3   .0510 .3489 .2081      .84
O4   .2332 .1354 .3263      .79
C        0     0     0 .83 1.80
O-C1     0     0     0 .83 1.80
O-C2     0     0     0 .83 1.80
O-C3     0     0     0 .83 1.80
S        0     0     0 .15 1.80
O-S1     0     0     0 .15 1.80
O-S2     0     0     0 .15 1.80
O-S3     0     0     0 .15 1.80
O-S4     0     0     0 .15 1.80
Cl       0     0     0 .02 1.80
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Gibbs G V
Download am/vol51/AM51_1068.pdf
American Mineralogist 51 (1966) 1068-1087
The polymorphism of cordierite I: The crystal structure of low cordierite
_database_code_amcsd 0000149
17.083 9.738 9.335 90 90 90 Cccm
atom      x      y     z occ Biso
Al1     1/4    1/4   1/4      .22
Si2       0    1/2   1/4 .92  .20
Al2       0    1/2   1/4 .08  .20
Si3   .1923  .0781     0      .26
Si4   .1351 -.2372     0      .23
Al5   .0506  .3084     0 .96  .25
Si5   .0506  .3084     0 .04  .25
Mg    .3374      0   1/4 .77  .23
Fe    .3374      0   1/4 .23  .23
O1    .2466 -.1040 .3591      .27
O2    .0616 -.4167 .3494      .24
O3   -.1730 -.3091 .3583      .31
O4    .0434 -.2453     0      .25
O5    .1224  .1848     0      .65
O6    .1639 -.0788     0      .54
Wat       0      0   1/4 .48 7.13
Li        0      0   1/4 .12 7.13
Na        0      0   1/4 .10 7.13
Ca        0      0   1/4 .03 7.13
K         0      0   1/4 .02 7.13
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Shirozu H, Bailey S W
Download am/vol51/AM51_1124.pdf
American Mineralogist 51 (1966) 1124-1143
Crystal structure of a two-layer Mg-vermiculite
_database_code_amcsd 0000150
5.349 9.255 28.89 90 97.12 90 C2/c
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .1638   .25       .96
Mg2      0 .4997   .25       .82
Mg3      0 .8332   .25       .86
Mg4      0     0     0  .41 2.30
Si1  .1042 .9997 .1545 .715 1.23
Al1  .1042 .9997 .1545 .285 1.23
Si2  .1026 .6647 .1547 .715  .83
Al2  .1026 .6647 .1547 .285  .83
O1   .1424 .0039 .2132       .83
O2   .1410 .6683 .2113      1.05
O3   .3579 .0697 .1338      2.09
O4   .3529 .5964 .1346      2.01
O5   .5593 .3316 .1339      1.94
OH   .1420 .3380 .2129      1.21
Wat1 .3363 .9736 .0397  .62       .0601  .0242  .0006 -.0024  .0036 -.0036
Wat2 .3515 .3274 .0412  .62       .0768  .0226  .0007 -.0187  .0011 -.0037
Wat3 .3832 .6520 .0414  .62       .0686  .0276  .0006 -.0181  .0067 -.0034
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinopyroxene
 
Peacor D R
Download am/vol52/AM52_31.pdf
American Mineralogist 52 (1967) 31-41
Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6
_database_code_amcsd 0000153
9.794 8.906 5.319 90 105.90 90 C2/c
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .0932   .75 .57  .0018  .0010  .0048      0 -.0008      0
Fe1      0 .0932   .75 .22  .0018  .0010  .0048      0 -.0008      0
Al1      0 .0932   .75 .14  .0018  .0010  .0048      0 -.0008      0
Ti1      0 .0932   .75 .07  .0018  .0010  .0048      0 -.0008      0
Ca2      0 .6957   .75 .98  .0024  .0012  .0059      0 -.0004      0
Mn2      0 .6957   .75 .01  .0024  .0012  .0059      0 -.0004      0
Na2      0 .6957   .75 .01  .0024  .0012  .0059      0 -.0004      0
Si   .2129 .4072 .7728 .75  .0005  .0006  .0031  .0000 -.0001  .0000
Al   .2129 .4072 .7728 .25  .0005  .0006  .0031  .0000 -.0001  .0000
O1   .3870 .4122 .8623      .0010  .0010  .0046 -.0004 -.0003  .0005
O2   .1379 .2454 .6811      .0018  .0017  .0081 -.0007 -.0013  .0011
O3   .1482 .4811 .0083      .0008  .0019  .0074 -.0003 -.0004  .0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sudoite
Download hom/sudoite.pdf
Eggleton R A, Bailey S W
Download am/vol52/AM52_673.pdf
American Mineralogist 52 (1967) 673-689
Structural aspects of dioctahedral chlorite
_database_code_amcsd 0000155
5.237 9.070 14.285 90 97.03 90 C2/m
atom     x     y     z occ
Si   .2312 .1667 .1909 .83
Al   .2312 .1667 .1909 .17
Al2      0 .3333     0
Mg3      0 .1667    .5 .77
Al3      0 .1667    .5 .23
Mg4      0    .5    .5 .77
Al4      0    .5    .5 .23
O1   .1900 .1667 .0720
O2   .1943     0 .2368
O3   .5066 .2335 .2332
OH1  .1900    .5 .0720
OH2  .1421     0 .4243
OH3  .1421 .3333 .4243
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chlorite
 
Lister J S, Bailey S W
Download am/vol52/AM52_1614.pdf
American Mineralogist 52 (1967) 1614-1631
Chlorite polytypism: IV. Regular two-layer structures
refined structure
_database_code_amcsd 0000162
5.335 9.240 28.735 90 90 90 C1
atom    x    y    z
Mg1     0    0    0
Mg2  .007 .329 .002
Mg3  .987 .660 .996
Mg4  .164 .170  .25
Mg5  .180 .502  .25
Mg6  .176 .832  .25
Mg7  .021 .992 .498
Mg8  .984 .329 .496
Mg9  .015 .656 .497
Mg10 .338 .002 .750
Mg11 .345 .335 .750
Mg12 .348 .668 .750
Si1  .336 .338 .152
Si2  .339 .672 .154
Si3  .004 .001 .348
Si4  .006 .671 .344
Si5  .170 .167 .656
Si6  .170 .837 .653
Si7  .992 .005 .844
Si8  .992 .671 .845
O1   .098 .760 .132
O2   .590 .730 .138
O3   .322 .512 .138
O4   .333 .333 .214
O5   .333 .667 .214
O6   .215 .570 .371
O7   .739 .620 .358
O8   .514 .316 .369
O9      0    0 .286
O10     0 .667 .286
O11  .410 .732 .640
O12  .914 .758 .634
O13  .678 .508 .640
O14  .167 .167 .714
O15  .167 .833 .714
O16  .278 .621 .859
O17  .778 .571 .872
O18  .450 .328 .867
O19     0    0 .786
O20     0 .667 .786
OH1  .386 .002 .967
OH2  .366 .347 .967
OH3  .378 .667 .967
OH4  .172 .155 .034
OH5  .156 .504 .034
OH6  .154 .826 .034
OH7  .333    0 .214
OH8     0 .333 .286
OH9  .168 .167 .467
OH10 .140 .505 .467
OH11 .166 .843 .467
OH12 .363 .002 .534
OH13 .371 .327 .534
OH14 .384 .648 .534
OH15 .167   .5 .714
OH16    0 .333 .786
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
_database_code_amcsd 0000171
4.762 10.225 5.994 90 90 90 Pbnm
atom      x      y      z occ Biso
Mg1       0      0      0  .9  .33
Fe1       0      0      0  .1  .33
Mg2  .98975 .27743    .25  .9  .36
Fe2  .98975 .27743    .25  .1  .36
Si   .42693 .09434    .25      .20
O1   .76580 .09186    .25      .35
O2   .22012 .44779    .25      .42
O3   .27810 .16346 .03431      .41
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
Note: variety hyalosiderite
_database_code_amcsd 0000172
4.785 10.325 6.038 90 90 90 Pbnm
atom      x      y      z  occ Biso
Mg1       0      0      0 .535  .32
Fe1       0      0      0 .456  .32
Mn1       0      0      0 .006  .32
Ca1       0      0      0 .002  .32
Mg2  .98598 .27880    .25 .535  .37
Fe2  .98598 .27880    .25 .456  .37
Mn2  .98598 .27880    .25 .006  .37
Ca2  .98598 .27880    .25 .002  .37
Si   .42843 .09587    .25       .19
O1   .76566 .09430    .25       .40
O2   .21642 .45084    .25       .56
O3   .28264 .16370 .03435       .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fayalite
Download hom/fayalite.pdf
Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
_database_code_amcsd 0000173
4.816 10.469 6.099 90 90 90 Pbnm
atom      x      y      z  occ Biso
Fe1       0      0      0 .922  .41
Mg1       0      0      0 .039  .41
Mn1       0      0      0 .037  .41
Ca1       0      0      0 .002  .41
Fe2  .98608 .28004    .25 .922  .36
Mg2  .98608 .28004    .25 .039  .36
Mn2  .98608 .28004    .25 .037  .36
Ca2  .98608 .28004    .25 .002  .36
Si   .43070 .09723    .25       .27
O1   .76683 .09197    .25       .43
O2   .21027 .45308    .25       .48
O3   .28806 .16532 .03626       .52
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fayalite
Download hom/fayalite.pdf
Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
Note: variety hortonolite
_database_code_amcsd 0000174
4.787 10.341 6.044 90 90 90 Pbnm
atom      x      y      z occ Biso
Mg1       0      0      0 .49  .36
Fe1       0      0      0 .49  .36
Mn1       0      0      0 .01  .36
Ca1       0      0      0 .01  .36
Mg2  .98678 .27915    .25 .49  .47
Fe2  .98678 .27915    .25 .49  .47
Mn2  .98678 .27915    .25 .01  .47
Ca2  .98678 .27915    .25 .01  .47
Si   .42870 .09576    .25      .18
O1   .76844 .09173    .25      .28
O2   .21419 .44958    .25      .18
O3   .28401 .16395 .03442      .37
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Clark J R, Papike J J
Download am/vol53/AM53_840.pdf
American Mineralogist 53 (1968) 840-868
Crystal-chemical characterization of omphacites
_database_code_amcsd 0000175
9.596 8.771 5.265 90 106.93 90 P2
atom      x     y     z occ Biso
Si1A  .2890 .0972 .9774      .17
Si2A  .2881 .9135 .4820      .17
Si1C  .2137 .5880 .0196      .17
Si2C  .2103 .4027 .5232      .17
Mg1       0 .9122     0 .81   .2
Fe1       0 .9122     0 .19   .2
Al11      0 .1002    .5 .95   .3
Fe11      0 .1002    .5 .05   .3
Al1H     .5 .4045     0 .82   .3
Fe1H     .5 .4045     0 .18   .3
Mg11H    .5 .5957    .5 .80   .2
Fe11H    .5 .5957    .5 .20   .2
Na2       0 .3036     0 .64   .8
Ca2       0 .3036     0 .36   .8
Na21      0 .7017    .5 .36   .7
Ca21      0 .7017    .5 .64   .7
Na2H     .5 .8009     0 .03   .8
Ca2H     .5 .8009     0 .97   .8
Na21H    .5 .1996    .5 .64   .8
Ca21H    .5 .1996    .5 .36   .8
O11A   .112  .088  .864       .4
O12A   .110  .922  .405       .4
O11C   .386  .567  .103       .4
O12C   .385  .411  .620       .4
O21A   .364  .263  .066       .4
O22A   .347  .747  .551       .4
O21C   .133  .749  .939       .4
O22C   .135  .244  .446       .4
O31A   .360  .022  .757       .4
O32A   .350  .994  .252       .4
O31C   .154  .515  .255       .4
O32C   .147  .489  .750       .4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Smith J V
Download am/vol53/AM53_1139.pdf
American Mineralogist 53 (1968) 1139-1155
The crystal structure of staurolite
_database_code_amcsd 0000181
7.8713 16.6204 5.6560 90 90.0 90 C2/m
atom      x      y      z  occ Biso
Fe   .39281      0 .24815 .586 1.01
Al   .39281      0 .24815 .293 1.01
Ti   .39281      0 .24815 .037 1.01
Si   .13414 .16612 .24902 .928  .25
Al   .13414 .16612 .24902 .063  .25
Al1A     .5 .17511      0 .926  .29
Mg1A     .5 .17511      0 .049  .29
Al1B     .5 .17477     .5 .929  .31
Mg1B     .5 .17477     .5 .049  .31
Al2  .26356 .41042 .25122 .933  .36
Mg2  .26356 .41042 .25122 .049  .36
Al3A      0      0      0 .278  .43
Fe3A      0      0      0 .137  .43
Al3B      0      0     .5 .189  .41
Fe3B      0      0     .5 .093  .41
Fe1      .5      0      0 .054  .40
Mn1      .5      0      0 .026  .40
Fe2      .5      0     .5 .026  .40
Mn2      .5      0     .5 .012  .40
O1A  .23274      0 .96313       .68
O1B  .23438      0 .53428       .69
O2A  .25569 .16153 .01527       .49
O2B  .25519 .16127 .48391       .49
O3   .00143 .08917 .24702       .59
O4   .02156 .24925 .24925       .45
O5   .52741 .10004 .24944       .42
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Glaucophane
Download hom/glaucophane.pdf
Papike J J, Clark J R
Download am/vol53/AM53_1156.pdf
American Mineralogist 53 (1968) 1156-1173
The crystal structure and cation distribution of glaucophane
_database_code_amcsd 0000182
9.541 17.740 5.295 90 103.67 90 C2/m
atom     x     y     z occ Biso
Mg1      0 .0908    .5 .84  .38
Fe1      0 .0908    .5 .16  .38
Al2      0 .1807     0 .91  .26
Fe2      0 .1807     0 .09  .26
Mg3      0     0     0 .71  .24
Fe3      0     0     0 .29  .24
Na4      0 .2772    .5 .98  .80
Ca4      0 .2772    .5 .02  .80
Si1  .2831 .0871 .2931      .31
Si2  .2920 .1730 .8087      .29
O1   .1092 .0927 .2037      .50
O2   .1177 .1714 .7480      .50
OH3  .1126     0 .7088      .65
O4   .3679 .2529 .8058      .61
O5   .3548 .1318 .0893      .64
O6   .3407 .1224 .5814      .68
O7   .3317     0 .3018      .66
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sapphirine
Download hom/sapphirine.pdf
Moore P B
Download am/vol54/AM54_31.pdf
American Mineralogist 54 (1969) 31-49
The crystal structure of sapphirine
_database_code_amcsd 0000187
11.266 14.401 9.929 90 125.46 90 P2_1/a
atom      x      y     z occ Biso
Al1   .0078  .1584 .1375      .27
Al2  -.0089  .1560 .6136      .40
Al3  -.0043  .0567 .3726 .50  .20
Mg3  -.0043  .0567 .3726 .50  .20
Mg4  -.0013  .0567 .8728      .38
Mg5   .0081  .3667 .1425      .31
Mg6  -.0084  .3649 .6079      .26
Al7       0  .2569 .8754      .33
Al8   .2510  .2496 .8755      .33
Al1   .1963  .5559 .2442      .42
Si2   .2018  .5536 .7552 .75  .44
Al2   .2018  .5536 .7552 .25  .44
Al3   .2026  .4502 .5072 .50  .20
Si3   .2026  .4502 .5072 .50  .20
Al4   .1993  .4420 .0051 .75  .19
Si4   .1993  .4420 .0051 .25  .19
Al5   .1878  .7552 .7553      .21
Al6   .1872  .2458 .5041      .20
O1    .1205  .2556 .1174      .26
O2    .1281  .2524 .6315      .54
O3    .1170  .0555 .1244      .39
O4    .1091  .0533 .6176      .54
O5    .1146  .1547 .3658      .49
O6    .1052  .1667 .8467      .58
O7    .1124 -.0540 .3754      .72
O8    .1114 -.0611 .8692      .55
O9    .3726  .2503 .1123      .35
O10   .3771  .2472 .6261      .64
O11   .3596  .0389 .1255      .54
O12   .3696  .0408 .6287      .60
O13   .3898  .3425 .3866      .63
O14   .3943  .3320 .9009      .23
O15   .3620  .1486 .3507      .36
O16   .3736  .1568 .8751      .53
O17   .1415  .4556 .1246      .35
O18   .1482  .4618 .6330      .42
O19   .1332  .3500 .3961      .62
O20   .1244  .3449 .8697      .28
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Osumilite
Download hom/osumilite.pdf
Brown G E, Gibbs G V
Download am/vol54/AM54_101.pdf
American Mineralogist 54 (1969) 101-116
Refinement of the crystal structure of osumilite
_database_code_amcsd 0000188
10.155 10.155 14.284 90 90 120 P6/mcc
atom     x     y     z  occ Biso
K        0     0   .25  .71  3.6
Na       0     0   .25  .28  3.6
Ca       0     0   .25  .01  3.6
Mg   .3333 .6667   .25  .46  .90
Fe   .3333 .6667   .25  .46  .90
Mn   .3333 .6667   .25  .08  .90
Si1  .1037 .3513 .1085  .85 1.25
Al1  .1037 .3513 .1085  .15 1.25
Al2     .5     0   .25  .88 1.31
Fe2     .5     0   .25  .12 1.31
O1   .1216 .4046     0       2.5
O2   .2142 .2837 .1316       2.4
O3   .1372 .4913 .1789       1.8
Wat   .031  .114     0 .166    9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Norbergite
Download hom/norbergite.pdf
Gibbs G V, Ribbe P H
Download am/vol54/AM54_376.pdf
American Mineralogist 54 (1969) 376-390
The crystal structures of the humite minerals: I. Norbergite
_database_code_amcsd 0000190
4.7104 10.2718 8.7476 90 90 90 Pbnm
atom     x     y     z occ Biso
Mg1  .9890 .6330 .4305      .33
Mg2  .9924 .9077   .25      .38
Si   .4195 .7196   .25      .28
O1   .7617 .7204   .25      .38
O2   .2793 .5740   .25      .32
O3   .2690 .7907 .1034      .32
F    .7295 .9682 .0834  .9  .74
OH   .7295 .9682 .0834  .1  .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gageite
Download hom/gageite.pdf
Moore P B
Download am/vol54/AM54_1005.pdf
American Mineralogist 54 (1969) 1005-1017
A novel octahedral framework structure: gageite
_database_code_amcsd 0000192
13.79 13.68 3.279 90 90 90 Pnnm
atom     x     y    z occ Biso
Mg1      0     0   .5 .83  .42
Mn1      0     0   .5 .17  .42
Mg2  .3382 .3847   .5 .59  .81
Mn2  .3382 .3847   .5 .41  .81
Mn3  .4227 .1520    0     1.16
Mn4  .1013 .4493    0      .79
Si1  .2111 .0974   .5  .5  .32
Si2  .0684 .1952    0  .5  .17
O1      .5     0    0     1.52
OH2  .3316 .0940   .5     1.57
OH3  .3411 .2860    0      .75
OH4  .4901 .4029   .5  .5 1.50
OH5  .3505 .4895    0     1.27
OH6  .1879 .3904   .5      .77
OH7  .0176 .3060    0  .5 1.28
O8   .1556 .1799 .323  .5  .29
O9   .1928 .1475 .024  .5 1.30
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Gibbs G V, Ribbe P H, Anderson C P
Download am/vol55/AM55_1182.pdf
American Mineralogist 55 (1970) 1182-1194
The crystal structures of the humite minerals. II. Chondrodite
_database_code_amcsd 0000208
4.7284 10.2539 7.8404 109.059 90 90 P2_1/b
atom     x     y     z occ Biso
Mg1     .5     0    .5 .95  .49
Fe1     .5     0    .5 .05  .49
Mg2  .0091 .1731 .3055      .45
Mg3  .4915 .8867 .0791      .43
Si   .0768 .1441 .7038      .20
O1   .7787 .0009 .2937      .36
O2   .7280 .2404 .1252      .40
O3   .2255 .1682 .5275      .35
O4   .2649 .8546 .2943      .42
OH   .2656 .0582 .1018 .35  .50
F    .2656 .0582 .1018 .65  .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Morimoto N, Guven N
Download am/vol55/AM55_1195.pdf
American Mineralogist 55 (1970) 1195-1209
Refinement of the crystal structure of pigeonite
Locality: Isle of Mull, Scotland
_database_code_amcsd 0000209
9.706 8.950 5.246 90 108.59 90 P2_1/c
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .2508 .6548 .2328 .72  .0017  .0016  .0078  .0001  .0013  .0001
Fe1  .2508 .6548 .2328 .28  .0017  .0016  .0078  .0001  .0013  .0001
Fe2  .2564 .0183 .2308 .76  .0028  .0045  .0114  .0005  .0007  .0005
Ca2  .2564 .0183 .2308 .18  .0028  .0045  .0114  .0005  .0007  .0005
Mg2  .2564 .0183 .2308 .06  .0028  .0045  .0114  .0005  .0007  .0005
SiA  .0427 .3398 .2797      .0017  .0015  .0069 -.0001  .0010 -.0012
SiB  .5504 .8367 .2372      .0014  .0016  .0052 -.0004  .0008  .0006
O1A  .8659 .3404 .1715      .0011  .0023  .0067 -.0004  .0003 -.0013
O2A  .1220 .4970 .3306      .0041  .0013  .0076 -.0002  .0032 -.0008
O3A  .1037 .2633 .5779      .0014  .0030  .0121 -.0006  .0008  .0023
O1B  .3743 .8342 .1344      .0023  .0016  .0056  .0003  .0017 -.0007
O2B  .6290 .9877 .3765      .0022  .0045  .0139 -.0018  .0033 -.0033
O3B  .6053 .7087 .4773      .0010  .0038  .0106 -.0005  .0003  .0024
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vermiculite
Download hom/vermiculite.pdf
Kanamaru F, Vand V
Download am/vol55/AM55_1550.pdf
American Mineralogist 55 (1970) 1550-1561
The crystal structure of a clay-organic complex of 6-amino hexanoic acid and
vermiculite
_database_code_amcsd 0000213
5.33 9.18 17.45 90 97.0 90 C2
atom     x    y    z occ
Mg1      0    0    0 .79
Fe1      0    0    0 .16
Al1      0    0    0 .05
Mg2      0 .333    0 .79
Fe2      0 .333    0 .16
Al2      0 .333    0 .05
Mg3      0 .667    0 .79
Fe3      0 .667    0 .16
Al3      0 .667    0 .05
Si1   .393    0 .160 .68
Al1   .393    0 .160 .32
Si2   .393 .333 .160 .68
Al2   .393 .333 .160 .32
O1    .352    0 .061
O2    .352 .333 .061
O3    .352 .667 .061
O4    .136 .464 .189
O5    .136 .929 .189
O6    .412 .167 .218
OH    .715 .332 .330
O     .465 .298 .432
C0    .600 .366 .392
C1    .480 .505 .422
C2    .595 .633 .383
C3    .475 .763 .413
C4    .590 .900 .375
C5    .470 .038 .405
N     .585 .167 .367
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gedrite
Download hom/gedrite.pdf
Papike J J, Ross M
Download am/vol55/AM55_1945.pdf
American Mineralogist 55 (1970) 1945-1972
Gedrites: Crystal structures and intracrystalline cation distributions
sample 001
_database_code_amcsd 0000215
18.531 17.741 5.249 90 90 90 Pnma
atom     x      y      z  occ Biso
Si1A .2315 -.1631 -.4487  .66  .43
Al1A .2315 -.1631 -.4487  .34  .43
Si1B .0202 -.1645  .2971  .62  .42
Al1B .0202 -.1645  .2971  .38  .42
Si2A .2278 -.0760  .0502       .46
Si2B .0266 -.0802 -.1985  .84  .58
Al2B .0266 -.0802 -.1985  .16  .58
Mg1  .1244  .1611  .3737  .88  .75
Fe1  .1244  .1611  .3737  .12  .75
Al2  .1248  .0731 -.1281  .60  .34
Mg2  .1248  .0731 -.1281  .36  .34
Fe2  .1248  .0731 -.1281  .04  .34
Mg3  .1249    .25 -.1248  .90  .47
Fe3  .1249    .25 -.1248  .10  .47
Mg4  .1189 -.0145  .3636  .55  .63
Fe4  .1189 -.0145  .3636  .42  .63
Ca4  .1189 -.0145  .3636  .02  .63
Na4  .1189 -.0145  .3636  .01  .63
Na   .1151 -.2500  .8533  .34 1.47
O1A  .1796  .1603  .0312       .40
O1B  .0695  .1584 -.2860       .92
O2A  .1840  .0737 -.4436      1.05
O2B  .0622  .0742  .1875       .50
O3A  .1797    .25 -.4571      1.02
O3B  .0700    .25  .2087       .75
O4A  .1868  .0022  .0425       .62
O4B  .0679 -.0046 -.2985       .74
O5A  .1968 -.1090  .3206      1.06
O5B  .0549 -.1026  .0943       .72
O6A  .2022 -.1313 -.1752       .73
O6B  .0472 -.1450 -.4097      1.49
O7A  .2030 -.2500  .5138       .65
O7B  .0454 -.2500  .2153      1.31
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodicgedrite
 
Papike J J, Ross M
Download am/vol55/AM55_1945.pdf
American Mineralogist 55 (1970) 1945-1972
Gedrites: Crystal structures and intracrystalline cation distributions
sample 002
_database_code_amcsd 0000216
18.601 17.839 5.284 90 90 90 Pnma
atom     x      y      z  occ Biso
Si1A .2323 -.1626 -.4505  .73  .56
Al1A .2323 -.1626 -.4505  .27  .56
Si1B .0199 -.1641  .3018  .56  .50
Al1B .0199 -.1641  .3018  .44  .50
Si2A .2282 -.0759  .0509  .98  .44
Al2A .2282 -.0759  .0509  .02  .44
Si2B .0268 -.0799 -.1947  .71  .59
Al2B .0268 -.0799 -.1947  .29  .59
Mg1  .1242  .1603  .3705  .67  .71
Fe1  .1242  .1603  .3705  .33  .71
Al2  .1247  .0724 -.1290  .68  .30
Mg2  .1247  .0724 -.1290  .23  .30
Fe2  .1247  .0724 -.1290  .09  .30
Mg3  .1243    .25 -.1294  .61  .57
Fe3  .1243    .25 -.1294  .39  .57
Fe4  .1184 -.0153  .3635  .65  .62
Mg4  .1184 -.0153  .3635  .32  .62
Ca4  .1184 -.0153  .3635  .02  .62
Na4  .1184 -.0153  .3635  .01  .62
Na   .1171 -.2500  .8480  .52 1.53
O1A  .1790  .1581  .0315       .78
O1B  .0701  .1568 -.2900       .76
O2A  .1850  .0731 -.4409       .80
O2B  .0635  .0739  .1808       .85
O3A  .1811    .25 -.4662       .77
O3B  .0701    .25  .2111       .90
O4A  .1863  .0028  .0445       .85
O4B  .0685 -.0049 -.2986       .86
O5A  .1973 -.1100  .3215       .78
O5B  .0545 -.1014  .0989      1.01
O6A  .2030 -.1320 -.1763      1.12
O6B  .0473 -.1461 -.4036      1.10
O7A  .2050 -.2500  .5141      1.18
O7B  .0453 -.2500  .2154       .77
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Novak G A, Meyer H O A
Download am/vol55/AM55_2124.pdf
American Mineralogist 55 (1970) 2124-2127
Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in
natural diamond
_database_code_amcsd 0000218
11.526 11.526 11.526 90 90 90 Ia-3d
atom      x     y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mgx       0   .25   .125 .875 .00095 .00134 .00134       0       0  .00033
Fex       0   .25   .125 .089 .00095 .00134 .00134       0       0  .00033
Cax       0   .25   .125 .030 .00095 .00134 .00134       0       0  .00033
Mnx       0   .25   .125 .005 .00095 .00134 .00134       0       0  .00033
Aly       0     0      0 .670 .00058 .00058 .00058 -.00003 -.00003 -.00003
Cry       0     0      0 .286 .00058 .00058 .00058 -.00003 -.00003 -.00003
Fey       0     0      0 .044 .00058 .00058 .00058 -.00003 -.00003 -.00003
Si        0   .25   .375 .996 .00068 .00068 .00055       0       0       0
Al        0   .25   .375 .004 .00068 .00068 .00055       0       0       0
O1   .03346 .0507 .65366      .00130 .00142 .00115 0.00006 -.00019  .00002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
American Mineralogist 56 (1971) 791-825
The crystal chemistry of the silicate garnets
sample Py
Locality: synthetic
_database_code_amcsd 0000238
11.459 11.459 11.459 90 90 90 Ia-3d
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Si     .375      0    .25 .00039 .00043 .00043      0       0       0
Al        0      0      0 .00075 .00075 .00075 .00001  .00001  .00001
Mg     .125      0    .25 .00121 .00170 .00170      0       0  .00039
O    .03285 .05015 .65335 .00104 .00103 .00087 .00012 -.00005 -.00005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
American Mineralogist 56 (1971) 791-825
The crystal chemistry of the silicate garnets
sample Cr-Py
Locality: inclusioin in a Venezuelan diamond
_database_code_amcsd 0000239
11.526 11.526 11.526 90 90 90 Ia-3d
atom      x     y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si     .375     0    .25     .00068 .00055 .00055       0       0       0
Al        0     0      0 .67 .00059 .00059 .00059 -.00003 -.00003 -.00003
Cr        0     0      0 .33 .00059 .00059 .00059 -.00003 -.00003 -.00003
Mg     .125     0    .25 .88 .00096 .00134 .00134       0       0  .00033
Fe     .125     0    .25 .12 .00096 .00134 .00134       0       0  .00033
O    .03346 .0507 .65366      .0013 .00142 .00115  .00006 -.00019  .00003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Almandine
Download hom/almandine.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
American Mineralogist 56 (1971) 791-825
The crystal chemistry of the silicate garnets
sample Al
Locality: Emerald creek in Latah Co, Idaho, USA
_database_code_amcsd 0000240
11.531 11.531 11.531 90 90 90 Ia-3d
atom      x     y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si     .375     0    .25     .00040 .00026 .00026      0      0      0
Al        0     0      0     .00052 .00052 .00052 .00009 .00009 .00009
Fe     .125     0    .25 .86 .00074 .00102 .00102      0      0 .00005
Mg     .125     0    .25 .09 .00074 .00102 .00102      0      0 .00005
Ca     .125     0    .25 .04 .00074 .00102 .00102      0      0 .00005
O    .03427 .0486 .65332     .00071 .00062 .00066 .00009 .00005 .00008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Goldmanite
Download hom/goldmanite.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
American Mineralogist 56 (1971) 791-823
The crystal chemistry of the silicate garnets
sample Go
Locality: Laguna Uranium mining district, New Mexico, USA
_database_code_amcsd 0000245
12.011 12.011 12.011 90 90 90 Ia-3d
atom     x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si    .375      0    .25     .00076 .00071 .00071       0       0       0
V        0      0      0 .60 .00075 .00075 .00075 -.00004 -.00004 -.00004
Al       0      0      0 .24 .00075 .00075 .00075 -.00004 -.00004 -.00004
Fe       0      0      0 .16 .00075 .00075 .00075 -.00004 -.00004 -.00004
Ca    .125      0    .25 .97 .00095 .00122 .00122       0       0  .00014
Mg    .125      0    .25 .03 .00095 .00122 .00122       0       0  .00014
O    .0385 .04742 .65387     .00194 .00109 .00142  .00001 -.00029  .00002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferrosilite
Download hom/ferrosilite.pdf
Burnham C W, Ohashi Y, Hafner S S, Virgo D
Download am/vol56/AM56_850.pdf
American Mineralogist 56 (1971) 850-876
Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene
_database_code_amcsd 0000247
18.405 9.0338 5.2390 90 90 90 Pbca
atom      x      y       z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
SiA  .27194 .33944  .04905     .00022 .00158 .00366 -.00008  .00007 -.00012
SiB  .47343 .33490  .79113     .00026 .00159 .00364  .00008       0  .00014
Fe1  .37566 .65424  .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012
Mg1  .37566 .65424  .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012
Fe2  .37795 .48456  .36682 .96 .00060 .00288 .00646 -.00012 -.00046  .00013
Ca2  .37795 .48456  .36682 .04 .00060 .00288 .00646 -.00012 -.00046  .00013
O1a  .18427 .33889  .03899     .00022 .00194 .00567       0  .00010 -.00025
O2a  .31130 .49661  .05755     .00047 .00157 .00513 -.00016 -.00010 -.00015
O3a  .30229 .23575 -.18414     .00032 .00301 .00455 -.00004  .00004 -.00106
O1b  .56154 .33620  .78991     .00024 .00227 .00662       0 -.00001  .00023
O2b  .43335 .48202  .69459     .00053 .00203 .00612  .00025  .00041  .00051
O3b  .44735 .20274  .58737     .00037 .00259 .00569 -.00014  .00017 -.00113
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Clark J R, Ross M, Appleman D E
Download am/vol56/AM56_888.pdf
American Mineralogist 56 (1971) 888-908
Crystal chemistry of a lunar pigeonite
class b data refinement
_database_code_amcsd 0000248
9.678 8.905 5.227 90 108.71 90 P2_1/c
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .2506 .6548 .2300 .67  .55
Fe1  .2506 .6548 .2300 .33  .55
Mg2  .2564 .0167 .2246 .41  .51  .0017  .0018  .0038  .0003  .0006  .0004
Fe2  .2564 .0167 .2246 .59  .51  .0017  .0018  .0038  .0003  .0006  .0004
SiA  .0434 .3399 .2844      .40
SiB  .5520 .8364 .2368      .34
O1A  .8684 .3373 .1740      .57
O1B  .3755 .8357 .1296      .43
O2A  .1231 .4977 .3312      .78
O2B  .6314 .9850 .3814      .59
O3A  .1048 .2683 .5917     1.12  .0022  .0054  .0095  .0000  .0016  .0033
O3B  .6045 .7047 .4707     1.05  .0022  .0044  .0110  .0007  .0022  .0026
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Humite
Download hom/humite.pdf
Ribbe P H, Gibbs G V
Download am/vol56/AM56_1155.pdf
American Mineralogist 56 (1971) 1155-1173
Crystal structures of the humite minerals: III. Mg/Fe ordering in humite and its
relation to other ferromagnesian silicates
_database_code_amcsd 0000250
4.7408 10.2580 20.8526 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg1  .0017 .3773 .1767 .943  .50
Fe1  .0017 .3773 .1767 .057  .50
Mg2  .5108 .1540   .25 .943  .50
Fe2  .5108 .1540   .25 .057  .50
Mg3  .0087 .0976 .1092 .943  .50
Fe3  .0087 .0976 .1092 .057  .50
Mg4  .4925 .8665 .0278 .943  .50
Fe4  .4925 .8665 .0278 .057  .50
Si1  .0752 .9691   .25       .27
Si2  .5765 .2819 .1059       .15
O11  .7320 .9679   .25       .57
O12  .2816 .3233   .25       .54
O13  .2198 .0382 .1882       .47
O21  .2368 .2827 .1048       .33
O22  .7805 .9264 .1046       .52
O23  .7225 .2141 .1686       .49
O24  .7261 .2087 .0452       .35
F    .2621 .0328 .0357   .5  .59
OH   .2621 .0328 .0357   .5  .59
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
Locality: hypothetical
_database_code_amcsd 0000276
4.79 10.19 5.85 90 90 90 Pbnm
atom     x     y     z
Si   .0945 .4078   .25
Mg1      0     0     0
Mg2  .0056 .2632   .75
O1   .2499 .0907   .75
O2   .2832 .0578   .25
O3   .2312 .3370 .4707
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wadsleyite
Download hom/wadsleyite.pdf
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
Polymorphs of low and high density
Locality: hypothetical
_database_code_amcsd 0000277
8.16 11.68 5.71 90 90 90 Ibmm
atom     x     y     z
Si   .1303 .1255   .25
Mg1  .2297     0   .75
Mg2    .25   .25   .75
Mg3      0 .3701     0
O1   .0300     0   .25
O2   .4799     0   .75
O3   .0040 .2348   .25
O4   .2557 .3751 .0168
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ringwoodite
Download hom/ringwoodite.pdf
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
normal
Locality: hypothetical
_database_code_amcsd 0000278
8.12 8.12 8.12 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Si    .125  .125  .125
Mg      .5    .5    .5
O    .2416 .2416 .2416
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ringwoodite
Download hom/ringwoodite.pdf
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
inverse
Locality: hypothetical
_database_code_amcsd 0000279
8.17 8.17 8.17 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ
Si      .5    .5    .5  .5
Mg1     .5    .5    .5  .5
Mg2   .125  .125  .125
O    .2630 .2630 .2630
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mg2SiO4
 
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
Model I
Locality: hypothetical
_database_code_amcsd 0000280
10.11 5.77 4.70 90 90. 90 P2/m
atom     x     y     z
Si1  .8420    .5 .8752
Si2  .3226     0 .8824
Mg1     .5    .5     0
Mg2      0     0    .5
Mg3      0    .5    .5
Mg4     .5     0    .5
Mg5  .2482 .2527 .4990
O1   .3154    .5 .2105
O2   .1642    .5 .7757
O3   .8305     0 .2334
O4   .3330     0 .2309
O5   .0851 .2601 .2287
O6   .5932 .2281 .2210
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mg2SiO4
 
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
Model II
Locality: hypothetical
_database_code_amcsd 0000281
10.05 5.75 4.87 90 90.0 90 C2/m
atom     x     y     z
Si   .3330     0 .8987
Mg1      0     0     0
Mg2     .5     0    .5
Mg3    .25   .25    .5
O1   .8194     0 .2220
O2   .3341     0 .2353
O3   .0908 .2703 .2253
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mg2SiO4
 
Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
Model III
Locality: hypothetical
_database_code_amcsd 0000282
10.03 5.77 4.52 90 90.0 90 C2/m
atom     x     y     z
Si   .3309     0 .8538
Mg1      0     0    .5
Mg2     .5     0    .5
Mg3    .25   .25    .5
O1   .8292     0 .2219
O2   .3337     0 .2163
O3   .0864 .2606 .2196
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 2702
View in amc, download in amc
Number of datasets in this page:100
1  2  3  4  5  6  7  8  9  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28  Next page  

Return to AMCSD Home Page