American Mineralogist Crystal Structure Database

70 matching records for this search.

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
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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
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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
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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
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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)
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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
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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
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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
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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
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Aegirine
Download hom/aegirine.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000336
9.658 8.795 5.294 90 107.42 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2905 .0894 .2351 .00050 .00073 .00385 -.00008 -.00029 -.00001
Fe1      0 .8989   1/4 .00082 .00086 .00457       0 -.00019       0
Na2      0 .2999   1/4 .00339 .00189 .00829       0 -.00119       0
O1   .1141 .0784 .1380 .00058 .00124 .00464 -.00014 -.00053  .00012
O2   .3582 .2558 .3001 .00133 .00085 .00748 -.00053  .00016  .00000
O3   .3518 .0079 .0118 .00107 .00190 .00512  .00017  .00001 -.00085
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Aegirine
Download hom/aegirine.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
_database_code_amcsd 0000337
9.677 8.829 5.298 90 107.33 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2904 .0891 .2338 .00163 .00282 .00629 -.00025  .00087 -.00011
Fe1      0 .8979   1/4 .00194 .00285 .00735       0  .00079       0
Na2      0 .3000   1/4 .00800 .00577 .01633       0 -.00092       0
O1   .1141 .0778 .1368 .00169 .00414 .00826 -.00038  .00065  .00072
O2   .3586 .2545 .2989 .00368 .00362 .01559 -.00132  .00235 -.00052
O3   .3514 .0076 .0112 .00232 .00528 .00954 -.00019  .00121 -.00200
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Aegirine
Download hom/aegirine.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 600 C
pyroxene
_database_code_amcsd 0000338
9.699 8.855 5.307 90 107.32 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2902 .0889 .2332 .00238 .00364 .00760 -.00031  .00122 -.00040
Fe1      0 .8974   1/4 .00278 .00375 .00922       0  .00124       0
Na2      0 .3001   1/4 .01073 .00762 .02049       0 -.00203       0
O1   .1142 .0775 .1364 .00241 .00541 .01021 -.00021  .00100  .00067
O2   .3587 .2537 .2975 .00518 .00435 .01936 -.00177  .00299 -.00056
O3   .3511 .0074 .0098 .00336 .00698 .01075  .00012  .00141 -.00240
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Aegirine
Download hom/aegirine.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 800 C
pyroxene
_database_code_amcsd 0000339
9.711 8.876 5.312 90 107.29 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2902 .0888 .2327 .00272 .00436 .01020 -.49000  .00147 -.28000
Fe1      0 .8969   1/4 .00331 .00457 .01195       0  .00122       0
Na2      0 .3002   1/4 .01312 .00858 .02591       0 -.00144       0
O1   .1146 .0771 .1356 .00275 .00641 .01382 -.40000  .00111  .89000
O2   .3588 .2532 .2967 .00590 .00510 .02409 -.00212  .00354 -.00111
O3   .3507 .0070 .0093 .00420 .00810 .01416 -.15000  .00227 -.00284
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Diopside
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000340
9.745 8.899 5.251 90 105.63 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2862 .0933 .2293 .00055 .00071 .00256 -.00003  .00025 -.00010
Mg1      0 .9082   1/4 .00075 .00075 .00246       0  .00009       0
Ca2      0 .3015   1/4 .00180 .00115 .00424       0 -.00033       0
O1   .1156 .0873 .1422 .00061 .00125 .00355  .00006  .00011  .00017
O2   .3611   .25 .3180 .00151 .00095 .00497 -.00055  .00029 -.00009
O3   .3505 .0176 .9953 .00092 .00153 .00341  .00000  .00052 -.00069
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Diopside
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
_database_code_amcsd 0000341
9.776 8.979 5.267 90 105.94 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2862 .0929 .2294 .00194 .00219 .00911 -.00014  .00066 -.00022
Mg1      0 .9072   1/4 .00285 .00270 .00880       0  .00065       0
Ca2      0 .3008   1/4 .00491 .00291 .01229       0 -.00053       0
O1   .1160 .0868 .1424 .00209 .00355 .01161  .00003  .00069  .00042
O2   .3611 .2486 .3163 .00465 .00302 .01386 -.00117  .00136 -.00085
O3   .3501 .0165 .9961 .00285 .00411 .01314 -.00008  .00184 -.00180
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Diopside
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 700 C
pyroxene
_database_code_amcsd 0000342
9.799 9.029 5.274 90 106 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2861 .0925 .2294 .00256 .00349 .01313 -.00032  .00173 -.00032
Mg1      0 .9069   1/4 .00367 .00454 .01361       0  .00167       0
Ca2      0 .3005   1/4 .00726 .00468 .01834       0 -.00034       0
O1   .1164 .0864 .1423 .00286 .00559 .01701 -.00003  .00212  .00008
O2   .3604 .2477 .3149 .00632 .00452 .02049 -.00183  .00257 -.00089
O3   .3495 .0157 .9971 .00402 .00641 .01674 -.00016  .00319 -.00291
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Diopside
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 850 C
pyroxene
_database_code_amcsd 0000343
9.806 9.05 5.28 90 106 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2861 .0925 .2293 .00313 .00393 .01076 -.00030  .00150 -.00054
Mg1      0 .9066   1/4 .00472 .00521 .01249       0  .00182       0
Ca2      0 .3003   1/4 .00868 .00521 .01765       0 -.00054       0
O1   .1161 .0863 .1418 .00325 .00643 .01609 -.00001  .00167  .00043
O2   .3607 .2468 .3144 .00782 .00512 .02066 -.00225  .00257 -.00080
O3   .3492 .0151 .9976 .00467 .00745 .01495  .00004  .00274 -.00351
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Diopside
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 1000 C
pyroxene
_database_code_amcsd 0000344
9.822 9.081 5.285 90 105.98 90 C2/c
atom     x     y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2859 .0924  .2292 .00337 .00464 .01349 -.00030  .00184 -.00039
Mg1      0 .9063    1/4 .00551 .00613 .01529       0  .00190       0
Ca2      0 .3001    1/4 .01028 .00628 .02088       0 -.00104       0
O1   .1164 .0864  .1423 .00387 .00740 .01888 -.00007  .00176  .00020
O2   .3607 .2464  .3143 .00858 .00613 .02521 -.00241  .00278 -.00172
O3   .3487 .0146 -.0024 .00527 .00837 .01751  .00029  .00325 -.00376
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000345
9.845 9.024 5.245 90 104.74 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si   .2878 .0924 .2326 .00111 .00116 .00359 -.00004 .00053 -.00022
Fe1      0 .9075   1/4 .00127 .00119 .00439       0 .00051       0
Ca2      0 .3003   1/4 .00215 .00171 .00532       0 .00006       0
O1   .1197 .0904 .1525 .00120 .00222 .00550  .00017 .00044 -.00007
O2   .3627 .2461 .3228 .00251 .00198 .00732 -.00065 .00086 -.00040
O3   .3502 .0198 .9932 .00165 .00246 .00582 -.00014 .00104 -.00112
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
_database_code_amcsd 0000346
9.87 9.077 5.258 90 105.01 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2875 .0921 .2329 .00205 .00236 .00677 -.00016  .00101 -.00021
Fe1      0 .9064   1/4 .00262 .00279 .00853       0  .00076       0
Ca2      0 .2993   1/4 .00468 .00339 .01085       0 -.00053       0
O1   .1195 .0898 .1519 .00222 .00388 .01084  .00020  .00095  .00015
O2   .3619 .2449 .3211 .00474 .00322 .01485 -.00126  .00179 -.00078
O3   .3497 .0180 .9949 .00292 .00467 .00986 -.00000  .00161 -.00226
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 600 C
pyroxene
_database_code_amcsd 0000347
9.884 9.11 5.264 90 105.11 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2875 .0918 .2329 .00264 .00315 .00843 -.00017  .00132 -.00027
Fe1      0 .9057   1/4 .00362 .00384 .01068       0  .00110       0
Ca2      0 .2990   1/4 .00645 .00440 .01377       0 -.00051       0
O1   .1194 .0894 .1514 .00285 .00522 .01290 -.00003  .00110  .00043
O2   .3620 .2444 .3200 .00628 .00417 .01778 -.00167  .00223 -.00120
O3   .3494 .0172 .9969 .00402 .00585 .01177 -.00010  .00224 -.00263
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 800 C
pyroxene
_database_code_amcsd 0000348
9.897 9.138 5.269 90 105.17 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2872 .0916 .2324 .00299 .00380 .01081 -.00035  .00129 -.00040
Fe1      0 .9054   1/4 .00443 .00463 .01316       0  .00119       0
Ca2      0 .2989   1/4 .00798 .00532 .01725       0 -.00080       0
O1   .1195 .0892 .1517 .00310 .00671 .01589  .00028  .00146  .00055
O2   .3618 .2436 .3193 .00720 .00529 .02319 -.00209  .00243 -.00118
O3   .3490 .0164 .9976 .00449 .00753 .01395 -.00004  .00213 -.00360
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 900 C
pyroxene
_database_code_amcsd 0000349
9.906 9.164 5.273 90 105.22 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2872 .0915 .2327 .00351 .00427 .01116 -.00027  .00159 -.00032
Fe1      0 .9051   1/4 .00495 .00543 .01422       0  .00122       0
Ca2      0 .2987   1/4 .00913 .00587 .01977       0 -.00088       0
O1   .1193 .0889 .1506 .00373 .00719 .01855 -.00020  .00198 -.00001
O2   .3617 .2429 .3188 .00823 .00565 .02357 -.00194  .00248 -.00063
O3   .3486 .0162 .9973 .00517 .00758 .01698  .00005  .00323 -.00458
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Hedenbergite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 1000 C
pyroxene
_database_code_amcsd 0000350
9.916 9.179 5.276 90 105.28 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2871 .0915 .2327 .00375 .00472 .01197 -.00010  .00175 -.00065
Fe1      0 .9049   1/4 .00561 .00600 .01650       0  .00161       0
Ca2      0 .2984   1/4 .00999 .00661 .02086       0 -.00128       0
O1   .1196 .0890 .1502 .00391 .00828 .01704 -.00010  .00141  .00016
O2   .3617 .2428 .3173 .00876 .00654 .02611 -.00247  .00254 -.00130
O3   .3484 .0160 .9976 .00540 .00863 .01733 -.00036  .00261 -.00454
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Jadeite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000351
9.423 8.564 5.223 90 107.56 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si   .2906 .0933 .2277 .00135 .00128 .00193 -.00012 .00027 -.00008
Al1      0 .9058   1/4 .00148 .00124 .00240       0 .00038       0
Na2      0 .3005   1/4 .00424 .00253 .00795       0 .00013       0
O1   .1092 .0760 .1285 .00128 .00187 .00340 -.00003 .00025 -.00007
O2   .3611 .2633 .2932 .00241 .00167 .00538 -.00041 .00077 -.00030
O3   .3537 .0072 .0060 .00198 .00239 .00285  .00002 .00049 -.00053
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Jadeite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
_database_code_amcsd 0000352
9.45 8.594 5.233 90 107.57 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2904 .0931 .2270 .00211 .00224 .00501 -.00029  .00073 -.00023
Al1      0 .9050   1/4 .00240 .00246 .00529       0  .00055       0
Na2      0 .3006   1/4 .00761 .00452 .01475       0 -.00103       0
O1   .1096 .0756 .1279 .00213 .00317 .00681 -.00021  .00058  .00031
O2   .3612 .2622 .2918 .00394 .00264 .01064 -.00114  .00099 -.00057
O3   .3530 .0069 .0057 .00305 .00442 .00686 -.00008  .00119 -.00212
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Jadeite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 600 C
pyroxene
_database_code_amcsd 0000353
9.469 8.614 5.24 90 107.57 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2903 .0928 .2264 .00249 .00288 .00664 -.00028  .00092 -.00044
Al1      0 .9043   1/4 .00288 .00310 .00745       0  .00066       0
Na2      0 .3007   1/4 .00985 .00599 .01726       0 -.00177       0
O1   .1097 .0756 .1278 .00221 .00404 .01000 -.00010  .00065  .00036
O2   .3613 .2615 .2903 .00511 .00356 .01502 -.00149  .00213 -.00046
O3   .3527 .0065 .0057 .00371 .00569 .00924  .00006  .00145 -.00265
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Jadeite
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 800 C
pyroxene
_database_code_amcsd 0000354
9.483 8.63 5.249 90 107.59 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2902 .0926 .2258 .00321 .00349 .00690 -.00033  .00110 -.00039
Al1      0 .9039   1/4 .00396 .00382 .00798       0  .00083       0
Na2      0 .3008   1/4 .01298 .00722 .01970       0 -.00158       0
O1   .1098 .0751 .1274 .00341 .00506 .00977 -.00016  .00088  .00060
O2   .3614 .2611 .2894 .00642 .00402 .01668 -.00153  .00215 -.00049
O3   .3520 .0062 .0048 .00490 .00661 .00994  .00035  .00228 -.00250
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Spodumene
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000355
9.463 8.392 5.218 90 110.15 90 C2/c
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Si   .2941 .0935 .2560 .000418 .000589 .001482 -.000180 .000301 -.000093
Al1      0 .9066   1/4 .000538 .000729 .001400        0 .000223        0
Li2      0 .2752   1/4 .003036 .004036 .013584        0 .002022        0
O1   .1099 .0823 .1402 .000640 .001089 .001775 -.000095 .000067  .000012
O2   .3646 .2673 .3009 .001385 .001194 .006341 -.000660 .001536 -.000295
O3   .3565 .9871 .0578 .000967 .002404 .002287  .000244 .000255 -.001184
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Spodumene
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 300 C
pyroxene
_database_code_amcsd 0000356
9.468 8.412 5.224 90 110.05 90 C2/c
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Si   .2943 .0932 .2547 .001567 .002269 .004496 -.000273 .000880 -.000120
Al1      0 .9059   1/4 .001781 .002160 .005382        0 .001011        0
Li2      0 .2758   1/4 .007250 .007687 .020955        0 .003477        0
O1   .1101 .0819 .1397 .001619 .003051 .006061 -.000129 .000750  .000292
O2   .3649 .2662 .3012 .003593 .002854 .013562 -.001321 .003094 -.001052
O3   .3565 .9886 .0546 .002449 .005649 .007905  .000113 .001284 -.002688
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Spodumene
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 460 C
pyroxene
_database_code_amcsd 0000357
9.473 8.43 5.229 90 109.99 90 C2/c
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Si   .2943 .0931 .2537 .001881 .002656 .005800 -.000306 .001294 -.000214
Al1      0 .9054   1/4 .002242 .002613 .006860        0 .001398        0
Li2      0 .2750   1/4 .008692 .010239 .027891        0 .004310        0
O1   .1104 .0815 .1394 .001864 .003707 .008294 -.000231 .001176  .000240
O2   .3650 .2656 .3014 .004468 .003681 .017169 -.001845 .004109 -.001257
O3   .3565 .9896 .0526 .003255 .007153 .009821  .000355 .001922 -.003474
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Spodumene
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Cameron M, Sueno S, Prewitt C T, Papike J J
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American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 760 C
pyroxene
_database_code_amcsd 0000358
9.489 8.46 5.236 90 109.88 90 C2/c
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Si   .2943 .0928 .2522 .002749 .003837 .008564 -.000483 .001487 -.000465
Al1      0 .9044   1/4 .003367 .003906 .010391        0 .001865        0
Li2      0 .2769   1/4 .013796 .013592 .036669        0 .003761        0
O1   .1105 .0810 .1383 .002548 .005584 .011803 -.000261 .001142  .000697
O2   .3652 .2644 .3018 .006300 .004908 .024037 -.002314 .005090 -.001628
O3   .3562 .9911 .0495 .004129 .009903 .013567  .000385 .002120 -.004719
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Kosmochlor
Download hom/kosmochlor.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
_database_code_amcsd 0000359
9.579 8.722 5.267 90 107.37 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2921 .0918 .2333 .00142 .00131 .00147 -.00010  .00020 -.00016
Cr1      0 .9076   1/4 .00167 .00146 .00229       0  .00043       0
Na2      0 .3008   1/4 .00350 .00166 .00344       0 -.00119       0
O1   .1140 .0791 .1374 .00156 .00177 .00186 -.00013  .00029  .00040
O2   .3599 .2583 .3037 .00221 .00152 .00377 -.00064  .00041 -.00038
O3   .3531 .0105 .0066 .00176 .00240 .00243 -.00001  .00035 -.00116
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Kosmochlor
Download hom/kosmochlor.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
_database_code_amcsd 0000360
9.597 8.751 5.274 90 107.29 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2920 .0918 .2328 .00178 .00180 .01221 -.00020  .00204 -.00015
Cr1      0 .9072   1/4 .00194 .00195 .01226       0  .00196       0
Na2      0 .3001   1/4 .00719 .00335 .01819       0 -.00035       0
O1   .1139 .0794 .1369 .00223 .00311 .01507 -.00033  .00278  .00010
O2   .3607 .2571 .3012 .00352 .00214 .02085 -.00134  .00268 -.00220
O3   .3521 .0099 .0062 .00324 .00377 .01578  .00037  .00280 -.00084
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Kosmochlor
Download hom/kosmochlor.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 600 C
pyroxene
_database_code_amcsd 0000361
9.612 8.77 5.279 90 107.25 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2921 .0912 .2324 .00213 .00255 .01040 -.00025  .00207 -.00014
Cr1      0 .9066   1/4 .00235 .00213 .01103       0  .00181       0
Na2      0 .3010   1/4 .00938 .00427 .02176       0 -.00089       0
O1   .1140 .0782 .1362 .00183 .00386 .01103 -.00032  .00255  .00066
O2   .3611 .2573 .3025 .00447 .00256 .02080 -.00161  .00372 -.00094
O3   .3519 .0094 .0074 .00308 .00447 .01486 -.00027  .00234 -.00287
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Tremolite
Download hom/tremolite.pdf
Sueno S, Cameron M, Papike J J, Prewitt C T
Download am/vol58/AM58_649.pdf
American Mineralogist 58 (1973) 649-664
The high temperature crystal chemistry of tremolite
T = 400 C
_database_code_amcsd 0000368
9.86 18.118 5.285 90 104.57 90 C2/m
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .2798 .0839 .2955 .00223 .00049 .00875 -.00009 .00140 -.00007
Si2  .2882 .1707 .8032 .00215 .00055 .00818 -.00022 .00158 -.00013
Mg1      0 .0877   1/2 .00312 .00066 .01060       0 .00220       0
Mg2      0 .1770     0 .00301 .00064 .00967       0 .00240       0
Mg3      0     0     0 .00307 .00060 .01012       0 .00173       0
Ca4      0 .2776   1/2 .00521 .00088 .01925       0 .00676       0
O1   .1117 .0862 .2171 .00250 .00072 .01208 -.00003 .00189 -.00013
O2   .1190 .1712 .7235 .00236 .00087 .01166 -.00005 .00153 -.00018
OH3  .1104     0 .7157 .00385 .00087 .01257       0 .00240       0
O4   .3658 .2470 .7951 .00471 .00077 .01608 -.00076 .00372 -.00034
O5   .3451 .1326 .0950 .00334 .00117 .01015 -.00007 .00181  .00107
O6   .3429 .1192 .5844 .00366 .00112 .01043  .00008 .00204 -.00096
O7   .3354     0 .2946 .00370 .00053 .02130       0 .00345       0
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Tremolite
Download hom/tremolite.pdf
Sueno S, Cameron M, Papike J J, Prewitt C T
Download am/vol58/AM58_649.pdf
American Mineralogist 58 (1973) 649-664
The high temperature crystal chemistry of tremolite
T = 700 C
_database_code_amcsd 0000369
9.898 18.19 5.296 90 104.46 90 C2/m
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .2791 .0837 .2945 .00313 .00056 .01387 -.00016 .00316 -.00002
Si2  .2880 .1702 .8027 .00317 .00069 .01338 -.00029 .00342 -.00014
Mg1      0 .0878   1/2 .00465 .00089 .01437       0 .00440       0
Mg2      0 .1776     0 .00449 .00083 .01568       0 .00443       0
Mg3      0     0     0 .00508 .00083 .01154       0 .00374       0
Ca4      0 .2778   1/2 .00796 .00112 .03078       0 .01133       0
O1   .1118 .0863 .2175 .00391 .00101 .01720 -.00006 .00334 -.00014
O2   .1198 .1713 .7235 .00401 .00113 .01644  .00008 .00353 -.00020
OH3  .1106     0 .7179 .00652 .00101 .01856       0 .00585       0
O4   .3662 .2461 .7958 .00690 .00094 .02501 -.00096 .00649 -.00080
O5   .3441 .1316 .0936 .00518 .00155 .01778 -.00007 .00433  .00167
O6   .3420 .1194 .5820 .00470 .00157 .01608  .00018 .00252 -.00147
O7   .3349     0 .2957 .00595 .00045 .03711       0 .00519       0
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Tremolite
Download hom/tremolite.pdf
Cameron M, Gibbs G V
Download am/vol58/AM58_879.pdf
American Mineralogist 58 (1973) 879-888
The crystal structure and bonding of fluor-tremolite: A comparison with hydroxyl
tremolite
_database_code_amcsd 0000384
9.787 18.004 5.263 90 104.44 90 C2/m
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si1  .2829 .0834 .2960 .00087 .00026 .00257 -.00006  .00071  .00010
Si2  .2900 .1707 .8041 .00085 .00037 .00206 -.00005 -.00007  .00011
Mg1      0 .0885    .5 .00094 .00042 .00309       0 -.00018       0
Mg2      0 .1760     0 .00197 .00040 .00408       0  .00101       0
Mg3      0     0     0 .00105 .00024 .00489       0  .00019       0
Ca4      0 .2771    .5 .00249 .00066 .00680       0  .00262       0
O1   .1126 .0847 .2179 .00118 .00038 .00501  .00009  .00009  .00001
O2   .1187 .1702 .7239 .00210 .00049 .00382 -.00001  .00095 -.00018
F3   .1020     0 .7124 .00122 .00071 .00580       0  .00088       0
O4   .3644 .2484 .7907 .00167 .00042 .00570 -.00022  .00048 -.00028
O5   .3471 .1351 .1001 .00194 .00040 .00570  .00012  .00040  .00072
O6   .3444 .1197 .5857 .00098 .00074 .00420  .00024  .00003 -.00004
O7   .3408     0 .2922 .00226 .00070 .00884       0  .00234       0
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 24 deg C
_database_code_amcsd 0000487
18.418 9.078 5.2366 90 90 90 Pbca
atom      x      y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37573 .65415 .8746 .00027 .00183 .00373 -.00001 -.00014  .00017
Fe2  .37766 .48567 .3667 .00041 .00242 .00452 -.00013 -.00043  .00021
Si1  .27229 .33870 .0493 .00022 .00216 .00349  .00000 -.00005 -.00002
Si2   .4731 .33448 .7891 .00021 .00154 .00426  .00010 -.00013 -.00013
O1    .1848  .3396 .0387 .00022 .00211 .00717 -.00011 -.00027  .00064
O2    .3118  .4964 .0582 .00064 .00216 .00434 -.00030 -.00043  .00106
O3    .3025  .2363 .8163 .00035 .00312 .00539  .00017 -.00030 -.00144
O4    .5610  .3365 .7868 .00030 .00306 .00652 -.00035 -.00063  .00022
O5    .4332  .4806 .6932 .00053 .00227 .00541  .00029  .00010  .00036
O6    .4476  .2028 .5865 .00042 .00259 .00332  .00005  .00006 -.00049
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 400 deg C
_database_code_amcsd 0000488
18.484 9.124 5.2593 90 90 90 Pbca
atom      x      y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37554 .65283 .8823 .00077 .00382 .00839 -.00008 -.00031  .00017
Fe2  .37724 .48683 .3748 .00106 .00522 .01136 -.00021 -.00118  .00058
Si1  .27223  .3384 .0562 .00051 .00358 .00637 -.00023  .00010 -.00007
Si2  .47356  .3348 .7862 .00043 .00315 .00758  .00002 -.00022  .00047
O1A   .1852  .3386 .0490 .00048 .00478 .01160 -.00011 -.00013 -.00067
O2A   .3113  .4951 .0695 .00095 .00398 .01225 -.00063 -.00020  .00053
O3A   .3022  .2406 .8204 .00067 .00736 .00882  .00008 -.00037 -.00367
O1B   .5613  .3380 .7838 .00043 .00511 .01233 -.00012 -.00025  .00003
O2B   .4334  .4806 .6965 .00103 .00421 .01138  .00088 -.00037  .00255
O3B   .4481  .2073 .5782 .00094 .00487 .00785 -.00010  .00034 -.00285
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 600 deg C
_database_code_amcsd 0000489
18.527 9.145 5.2756 90 90 90 Pbca
atom      x      y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37517 .65204 .8869 .00102 .00501 .01093  .00009 -.00052  .00033
Fe2  .37714 .48760 .3805 .00138 .00709 .01562 -.00022 -.00153  .00066
Si1  .27247  .3376 .0598 .00067 .00423 .00843 -.00026 -.00001 -.00052
Si2  .47411  .3350 .7827 .00064 .00425 .00868  .00018 -.00030 -.00041
O1A   .1854  .3393 .0532 .00067 .00557 .01413 -.00015  .00005 -.00016
O2A   .3112  .4932 .0756 .00172 .00479 .01616 -.00081 -.00026  .00024
O3A   .3014  .2434 .8192 .00080 .00876 .01239  .00000 -.00030 -.00642
O1B   .5613  .3379 .7812 .00084 .00734 .01387 -.00062 -.00031  .00061
O2B   .4340  .4825 .7011 .00147 .00478 .01566  .00096 -.00066  .00118
O3B   .4487  .2100 .5719 .00117 .00662 .01291 -.00055  .00088 -.00257
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 800 deg C
_database_code_amcsd 0000490
18.569 9.16 5.2974 90 90 90 Pbca
atom      x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37499 .6513 .8926 .00133 .00617 .01322  .00014 -.00064  .00052
Fe2  .37666 .4885 .3879 .00180 .00884 .01937 -.00028 -.00192  .00032
Si1  .27259 .3369 .0644 .00073 .00535 .01049 -.00026 -.00001 -.00110
Si2  .47462 .3358 .7783 .00081 .00474 .01161  .00025 -.00041  .00089
O1A   .1855 .3390 .0605 .00066 .00840 .01380 -.00035  .00111  .00112
O2A   .3115 .4926 .0832 .00168 .00671 .02059 -.00084 -.00040  .00013
O3A   .3011 .2450 .8227 .00104 .01293 .01406  .00010  .00061 -.00730
O1B   .5617 .3392 .7771 .00069 .00809 .01930 -.00057 -.00044 -.00053
O2B   .4339 .4832 .7064 .00179 .00663 .01772  .00151 -.00012  .00199
O3B   .4488 .2167 .5604 .00138 .00934 .01916 -.00072  .00075 -.00654
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 900 deg C
_database_code_amcsd 0000491
18.596 9.1685 5.3113 90 90 90 Pbca
atom      x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37492 .6510 .8968 .00141 .00695 .01476  .00007 -.00080 -.00020
Fe2  .37641 .4886 .3926 .00202 .00967 .02152 -.00021 -.00212  .00074
Si1  .27267 .3371 .0675 .00081 .00588 .01284 -.00024  .00001 -.00065
Si2  .47520 .3358 .7742 .00088 .00525 .01317  .00021 -.00054  .00080
O1A   .1856 .3386 .0648 .00098 .00901 .01826 -.00050  .00007  .00083
O2A   .3115 .4917 .0856 .00234 .00628 .02011 -.00113 -.00057 -.00051
O3A   .3013 .2470 .8239 .00102 .01334 .01542  .00017 -.00056 -.00719
O1B   .5622 .3396 .7731 .00098 .00858 .02088 -.00087 -.00069 -.00132
O2B   .4342 .4846 .7077 .00206 .00690 .01889  .00160 -.00032  .00234
O3B   .4500 .2189 .5521 .00160 .01125 .01886 -.00081  .00041 -.00592
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Ferrosilite
Download hom/ferrosilite.pdf
Sueno S, Cameron M, Prewitt C T
Download am/vol61/AM61_38.pdf
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 980 deg C
_database_code_amcsd 0000492
18.614 9.172 5.3199 90 90 90 Pbca
atom      x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37467 .6505 .8992 .00162 .00800 .01652  .00004 -.00085  .00034
Fe2  .37637 .4886 .3964 .00222 .01090 .02556 -.00048 -.00261  .00000
Si1   .2729 .3374 .0695 .00098 .00669 .01154 -.00015  .00014 -.00154
Si2   .4755 .3353 .7725 .00099 .00590 .01555  .00013 -.00054  .00120
O1A   .1862 .3394 .0669 .00093 .00969 .01998 -.00017  .00033  .00161
O2A   .3120 .4910 .0921 .00219 .00733 .02027 -.00136  .00024 -.00070
O3A   .3005 .2491 .8225 .00120 .01401 .02005  .00034 -.00035 -.01087
O1B   .5623 .3401 .7727 .00137 .00921 .02172 -.00064 -.00075  .00015
O2B   .4348 .4847 .7117 .00272 .00895 .02283  .00149  .00015 -.00015
O3B   .4493 .2229 .5455 .00184 .01421 .02248 -.00113  .00081 -.00548
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Durango Mexico
_database_code_amcsd 0001256
9.3973 9.3973 6.8782 90 90 120 P6_3/m
atom       x      y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Ca1      2/3    1/3 .0010 .00394 .00394 0.0033  .00197      0      0
Ca2  -.00712 .24227   .25 .00256 .00361 0.0034 .001495      0      0
P     .36895 .39850   .25 .00208 .00231 0.0032  .00125      0      0
O1     .4849  .3273   .25 0.0037 0.0044 0.0055  .00265      0      0
O2     .4667  .5875   .25 0.0038 0.0030 0.0088  0.0014      0      0
O3     .2575  .3421 .0705 0.0043 0.0077 0.0055  0.0038 -.0016 -.0026
F          0      0   .25 0.0029 0.0029 0.0022  .00145      0      0
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Hydroxylapatite
Download hom/hydroxylapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Holly Springs, Georgia, USA
_database_code_amcsd 0001257
9.4166 9.4166 6.8745 90 90 120 P6_3/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)
Ca1      2/3    1/3 .00144          .00408 .00408 0.0033 .00204      0      0
Ca2  -.00657 .24706    .25          .00308 .00353 .00417 .00156      0      0
P     .36860 .39866    .25          .00223 .00250 0.0034 .00127      0      0
O1     .4850  .3289    .25          0.0036 0.0044 0.0059  .0027      0      0
O2     .4649  .5871    .25          0.0035 0.0031 0.0105  .0016      0      0
O3     .2580  .3435  .0703          0.0050 0.0096 0.0070 .00505 -.0025 -.0041
O(H)       0      0  .1979  .5      0.0030 0.0030  0.012  .0015      0      0
H          0      0    .04  .5  3.3
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Chlorapatite
Download hom/chlorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Kragero, Norway
_database_code_amcsd 0001258
9.598 9.598 6.776 90 90 120 P6_3/m
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Ca1     2/3    1/3 .0027     .00462 .00462 0.0023 .00231      0       0
Ca2  .00112 .25763   .25     .00449 .00526 0.0037 .00228      0       0
P    .37359 .40581   .25     .00310 .00330 0.0034 .00184      0       0
O1    .4902  .3403   .25     0.0059 0.0075 0.0054 0.0051      0       0
O2    .4654  .5908   .25     0.0049 0.0036 0.0109 0.0020      0       0
O3    .2655  .3522 .0684     0.0062 0.0113 0.0076 .00595 -.0035 -.00545
Cl        0      0 .4323 .44 0.0056 0.0056  0.027 0.0028      0       0
F         0      0   .25 .12
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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Durango Mexico
_database_code_amcsd 0001259
9.3973 9.3973 6.8782 90 90 120 P6_3/m
atom       x      y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Ca1      2/3    1/3 .0010 .00394 .00394 0.0033  .00197      0      0
Ca2  -.00712 .24227   .25 .00256 .00361 0.0034 .001495      0      0
P     .36895 .39850   .25 .00208 .00231 0.0032  .00125      0      0
O1     .4849  .3273   .25 0.0037 0.0044 0.0055  .00265      0      0
O2     .4667  .5875   .25 0.0038 0.0030 0.0088  0.0014      0      0
O3     .2575  .3421 .0705 0.0043 0.0077 0.0055  0.0038 -.0016 -.0026
F          0      0   .25 0.0029 0.0029 0.0022  .00145      0      0
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Apatite-(CaOH)
Download hom/apatitecaoh.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Holly Springs, Georgia, USA
_database_code_amcsd 0001260
9.4166 9.4166 6.8745 90 90 120 P6_3/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)
Ca1      2/3    1/3 .00144          .00408 .00408 0.0033 .00204      0      0
Ca2  -.00657 .24706    .25          .00308 .00353 .00417 .00156      0      0
P     .36860 .39866    .25          .00223 .00250 0.0034 .00127      0      0
O1     .4850  .3289    .25          0.0036 0.0044 0.0059  .0027      0      0
O2     .4649  .5871    .25          0.0035 0.0031 0.0105  .0016      0      0
O3     .2580  .3435  .0703          0.0050 0.0096 0.0070 .00505 -.0025 -.0041
O(H)       0      0  .1979  .5      0.0030 0.0030  0.012  .0015      0      0
H          0      0    .04  .5  3.3
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Apatite-(CaCl)
Download hom/apatitecacl.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Kragero, Norway
_database_code_amcsd 0001261
9.598 9.598 6.776 90 90 120 P6_3/m
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Ca1     2/3    1/3 .0027     .00462 .00462 0.0023 .00231      0       0
Ca2  .00112 .25763   .25     .00449 .00526 0.0037 .00228      0       0
P    .37359 .40581   .25     .00310 .00330 0.0034 .00184      0       0
O1    .4902  .3403   .25     0.0059 0.0075 0.0054 0.0051      0       0
O2    .4654  .5908   .25     0.0049 0.0036 0.0109 0.0020      0       0
O3    .2655  .3522 .0684     0.0062 0.0113 0.0076 .00595 -.0035 -.00545
Cl        0      0 .4323 .44 0.0056 0.0056  0.027 0.0028      0       0
F         0      0   .25 .12
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol75/AM75_295.pdf
American Mineralogist 75 (1990) 295-304
Crystal structures of natural ternary apatites: Solid solution in the
Ca5(PO4)3X (X = F,OH,Cl) system
_database_code_amcsd 0001290
9.4615 9.4615 6.8491 90 90 120 P6_3/m
atom       x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1      2/3    1/3 .0018      .00417 .00417 0.0037 .002085      0       0
Ca2A -.00699 .23861   .25 .890 .00271 .00132 0.0042   .0009      0       0
Ca2B  -.0018  .2709   .25 .110 0.0032 0.0002 0.0037   .0003      0       0
P     .36968 .40053   .25      .00258 .00271 0.0038   .0016      0       0
O1     .4862  .3315   .25      0.0043 0.0055 0.0057  .00365      0       0
O2     .4651  .5884   .25      0.0052 0.0030 0.0110  .00215      0       0
O3     .2597  .3450 .0699      0.0052 0.0106 0.0068   .0053 -.0026 -.00405
F          0      0   .25 .390 0.0029 0.0029 0.0220  .00145      0       0
OH         0      0  .200 .140 0.0030 0.0030 0.0120   .0015      0       0
ClB        0      0  .368 .082 0.0056 0.0056 0.0270   .0028      0       0
ClA        0      0   .44 .083 0.0056 0.0056 0.0270   .0028      0       0
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Chlorapatite
Download hom/chlorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol75/AM75_295.pdf
American Mineralogist 75 (1990) 295-304
Crystal structures of natural ternary apatites: Solid solution in the
Ca5(PO4)3X (X = F,OH,Cl) system
_database_code_amcsd 0001291
9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b
atom      x      y     z  occ Biso
Ca11  .3313 .58243 .0020      1.14
Ca12  .3356 .58434 .4980      1.51
Ca21  .2511 .24809 .2498      1.48
Ca22 -.0038 .62258 .7492      1.48
Ca23  .2550 .37554 .7503      1.49
P1    .4018 .43534 .2505      1.01
P2    .6292 .26557 .2508      1.02
P3    .0312 .45093 .7502      1.02
O11   .3346  .4939 .2510      1.41
O12   .4880  .3268 .7511      1.41
O13   .1534  .5829 .2492      1.41
O21   .5894  .4825 .2465      1.63
O22   .5346  .3121 .2490      1.62
O23   .1242  .5447 .7476      1.60
O31   .3441  .3800 .0709      2.00
O32   .7399  .2926 .0710      1.89
O33   .0846  .4217 .5710      1.93
O34   .3508  .3817 .4331      2.00
O35   .7365  .2932 .4329      2.10
O36   .0865  .4258 .9338      2.05
ClB    .000  .2507  .130 .235 1.39
ClA   .0000  .2494 .4345 .235 1.22
F     .0000  .2502  .237 .290 1.40
OH    .0006  .2498  .340 .240 0.14
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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol75/AM75_295.pdf
American Mineralogist 75 (1990) 295-304
Crystal structures of natural ternary apatites: Solid solution in the
Ca5(PO4)3X (X = F,OH,Cl) system
_database_code_amcsd 0001292
9.4615 9.4615 6.8491 90 90 120 P6_3/m
atom       x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1      2/3    1/3 .0018      .00417 .00417 0.0037 .002085      0       0
Ca2A -.00699 .23861   .25 .890 .00271 .00132 0.0042   .0009      0       0
Ca2B  -.0018  .2709   .25 .110 0.0032 0.0002 0.0037   .0003      0       0
P     .36968 .40053   .25      .00258 .00271 0.0038   .0016      0       0
O1     .4862  .3315   .25      0.0043 0.0055 0.0057  .00365      0       0
O2     .4651  .5884   .25      0.0052 0.0030 0.0110  .00215      0       0
O3     .2597  .3450 .0699      0.0052 0.0106 0.0068   .0053 -.0026 -.00405
F          0      0   .25 .390 0.0029 0.0029 0.0220  .00145      0       0
OH         0      0  .200 .140 0.0030 0.0030 0.0120   .0015      0       0
ClB        0      0  .368 .082 0.0056 0.0056 0.0270   .0028      0       0
ClA        0      0   .44 .083 0.0056 0.0056 0.0270   .0028      0       0
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Apatite-(CaCl)
Download hom/apatitecacl.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol75/AM75_295.pdf
American Mineralogist 75 (1990) 295-304
Crystal structures of natural ternary apatites: Solid solution in the
Ca5(PO4)3X (X = F,OH,Cl) system
_database_code_amcsd 0001293
9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b
atom      x      y     z  occ Biso
Ca11  .3313 .58243 .0020      1.14
Ca12  .3356 .58434 .4980      1.51
Ca21  .2511 .24809 .2498      1.48
Ca22 -.0038 .62258 .7492      1.48
Ca23  .2550 .37554 .7503      1.49
P1    .4018 .43534 .2505      1.01
P2    .6292 .26557 .2508      1.02
P3    .0312 .45093 .7502      1.02
O11   .3346  .4939 .2510      1.41
O12   .4880  .3268 .7511      1.41
O13   .1534  .5829 .2492      1.41
O21   .5894  .4825 .2465      1.63
O22   .5346  .3121 .2490      1.62
O23   .1242  .5447 .7476      1.60
O31   .3441  .3800 .0709      2.00
O32   .7399  .2926 .0710      1.89
O33   .0846  .4217 .5710      1.93
O34   .3508  .3817 .4331      2.00
O35   .7365  .2932 .4329      2.10
O36   .0865  .4258 .9338      2.05
ClB    .000  .2507  .130 .235 1.39
ClA   .0000  .2494 .4345 .235 1.22
F     .0000  .2502  .237 .290 1.40
OH    .0006  .2498  .340 .240 0.14
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Pajarito, New Mexico
_database_code_amcsd 0001372
9.4052 9.4052 6.9125 90 90 120 P6_3/m
atom      x      y      z  occ Biso
Ca1     2/3    1/3 -.0012 .677 .986
Na1     2/3    1/3 -.0012 .237 .986
Ce1     2/3    1/3 -.0012 .086 .986
Ca2  .98860 .23885    .25 .847 .885
Ce2  .98860 .23885    .25 .153 .885
P    .36881 .39692    .25 .947  .63
Si   .36881 .39692    .25 .053  .63
O1    .4821  .3233    .25      1.14
O2    .4671  .5853    .25      1.35
O3    .2557  .3396  .0721      1.65
F         0      0    .25      2.50
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Kipawa, Quebec
_database_code_amcsd 0001373
9.3908 9.3908 6.8988 90 90 120 P6_3/m
atom      x      y     z  occ  Biso
Ca1     2/3    1/3 .0007 .936 1.023
Na1     2/3    1/3 .0007 .025 1.023
Ce1     2/3    1/3 .0007 .039 1.023
Ca2  .99123 .24026   .25 .923 1.018
Ce2  .99123 .24026   .25 .077 1.018
P    .36928 .39832   .25 .927   .72
Si   .36928 .39832   .25 .073   .72
O1    .4843  .3261   .25       1.09
O2    .4667  .5875   .25       1.23
O3    .2572  .3417 .0704       1.47
F         0      0   .25        2.7
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from the Oka carbonatite
_database_code_amcsd 0001374
9.3995 9.3995 6.8941 90 90 120 P6_3/m
atom      x      y     z  occ Biso
Ca1     2/3    1/3 .0011 .980 .893
Na1     2/3    1/3 .0011 .005 .893
Ce1     2/3    1/3 .0011 .015 .893
Ca2  .99212 .24276   .25 .955 .842
Ce2  .99212 .24276   .25 .045 .842
P    .36875 .39813   .25 .947  .57
Si   .36875 .39813   .25 .053  .57
O1    .4849  .3269   .25       .96
O2    .4659  .5873   .25      1.08
O3    .2573  .3421 .0705      1.32
F         0      0   .25  .74  2.7
OH        0      0  .302  .13  1.3
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Hydroxylapatite
Download hom/hydroxylapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample B from the Oka carbonatite
_database_code_amcsd 0001375
9.4202 9.4202 6.9157 90 90 120 P6_3/m
atom      x      y     z  occ  Biso
Ca1     2/3    1/3 .0004 .939 1.101
Na1     2/3    1/3 .0004 .010 1.101
Ce1     2/3    1/3 .0004 .051 1.101
Ca2  .99088 .24301   .25 .893 1.000
Ce2  .99088 .24301   .25 .107 1.000
P    .36896 .39824   .25 .865   .73
Si   .36896 .39824   .25 .135   .73
O1    .4842  .3261   .25       1.08
O2    .4659  .5874   .25       1.35
O3    .2567  .3421 .0708       1.72
F         0      0   .25 .335   1.9
OH        0      0  .304 .332   2.3
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Apatite-(CaOH)
Download hom/apatitecaoh.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample B from the Oka carbonatite
_database_code_amcsd 0001376
9.4202 9.4202 6.9157 90 90 120 P6_3/m
atom      x      y     z  occ  Biso
Ca1     2/3    1/3 .0004 .939 1.101
Na1     2/3    1/3 .0004 .010 1.101
Ce1     2/3    1/3 .0004 .051 1.101
Ca2  .99088 .24301   .25 .893 1.000
Ce2  .99088 .24301   .25 .107 1.000
P    .36896 .39824   .25 .865   .73
Si   .36896 .39824   .25 .135   .73
O1    .4842  .3261   .25       1.08
O2    .4659  .5874   .25       1.35
O3    .2567  .3421 .0708       1.72
F         0      0   .25 .335   1.9
OH        0      0  .304 .332   2.3
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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Pajarito, New Mexico
_database_code_amcsd 0001377
9.4052 9.4052 6.9125 90 90 120 P6_3/m
atom      x      y      z  occ Biso
Ca1     2/3    1/3 -.0012 .677 .986
Na1     2/3    1/3 -.0012 .237 .986
Ce1     2/3    1/3 -.0012 .086 .986
Ca2  .98860 .23885    .25 .847 .885
Ce2  .98860 .23885    .25 .153 .885
P    .36881 .39692    .25 .947  .63
Si   .36881 .39692    .25 .053  .63
O1    .4821  .3233    .25      1.14
O2    .4671  .5853    .25      1.35
O3    .2557  .3396  .0721      1.65
F         0      0    .25      2.50
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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Kipawa, Quebec
_database_code_amcsd 0001378
9.3908 9.3908 6.8988 90 90 120 P6_3/m
atom      x      y     z  occ  Biso
Ca1     2/3    1/3 .0007 .936 1.023
Na1     2/3    1/3 .0007 .025 1.023
Ce1     2/3    1/3 .0007 .039 1.023
Ca2  .99123 .24026   .25 .923 1.018
Ce2  .99123 .24026   .25 .077 1.018
P    .36928 .39832   .25 .927   .72
Si   .36928 .39832   .25 .073   .72
O1    .4843  .3261   .25       1.09
O2    .4667  .5875   .25       1.23
O3    .2572  .3417 .0704       1.47
F         0      0   .25        2.7
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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from the Oka carbonatite
_database_code_amcsd 0001379
9.3995 9.3995 6.8941 90 90 120 P6_3/m
atom      x      y     z  occ Biso
Ca1     2/3    1/3 .0011 .980 .893
Na1     2/3    1/3 .0011 .005 .893
Ce1     2/3    1/3 .0011 .015 .893
Ca2  .99212 .24276   .25 .955 .842
Ce2  .99212 .24276   .25 .045 .842
P    .36875 .39813   .25 .947  .57
Si   .36875 .39813   .25 .053  .57
O1    .4849  .3269   .25       .96
O2    .4659  .5873   .25      1.08
O3    .2573  .3421 .0705      1.32
F         0      0   .25  .74  2.7
OH        0      0  .302  .13  1.3
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Sr.63
_database_code_amcsd 0001421
9.3902 9.3902 6.9011 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00086 .984 .850
Sr1      2/3    1/3 .00086 .016 .850
Ca2  -.00854 .24046    .25 .906 .792
Sr2  -.00854 .24046    .25 .094 .792
P     .36912 .39843    .25       .60
O1     .4846  .3269    .25       .95
O2     .4665  .5877    .25      1.13
O3     .2574  .3416  .0711      1.26
F          0      0    .25      2.00
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Sr.29
_database_code_amcsd 0001422
9.3786 9.3786 6.8922 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00092 .998 .732
Sr1      2/3    1/3 .00092 .002 .732
Ca2  -.00788 .24114    .25 .952 .670
Sr2  -.00788 .24114    .25 .048 .670
P     .36899 .39827    .25       .51
O1     .4852  .3272    .25       .90
O2     .4670  .5879    .25       .98
O3    .25737  .3418  .0706      1.16
F          0      0    .25 .890 1.93
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Mn1.21
_database_code_amcsd 0001423
9.3430 9.3430 6.8227 90 90 120 P6_3/m
atom       x      y     z  occ Biso
Ca1      2/3    1/3 .0021 .795 .947
Mn1      2/3    1/3 .0021 .205 .947
Ca2  -.00708 .24157   .25 .935 .751
Mn2  -.00708 .24157   .25 .065 .751
P     .36997 .39878   .25       .71
O1     .4883  .3298   .25      1.19
O2     .4656  .5882   .25      2.01
O3     .2581  .3406 .0702      1.87
F          0      0   .25 .740 2.31
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Mn.42
_database_code_amcsd 0001424
9.3596 9.3596 6.8603 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00155 .918 .828
Mn1      2/3    1/3 .00155 .083 .828
Ca2  -.00704 .24157    .25 .985 .751
Mn2  -.00704 .24157    .25 .015 .751
P     .36937 .39843    .25      .573
O1     .4859  .3273    .25       .97
O2     .4666  .5882    .25      1.29
O3     .2575  .3414  .0707      1.39
F          0      0    .25 .930 1.87
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Sr.63
_database_code_amcsd 0001425
9.3902 9.3902 6.9011 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00086 .984 .850
Sr1      2/3    1/3 .00086 .016 .850
Ca2  -.00854 .24046    .25 .906 .792
Sr2  -.00854 .24046    .25 .094 .792
P     .36912 .39843    .25       .60
O1     .4846  .3269    .25       .95
O2     .4665  .5877    .25      1.13
O3     .2574  .3416  .0711      1.26
F          0      0    .25      2.00
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Sr.29
_database_code_amcsd 0001426
9.3786 9.3786 6.8922 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00092 .998 .732
Sr1      2/3    1/3 .00092 .002 .732
Ca2  -.00788 .24114    .25 .952 .670
Sr2  -.00788 .24114    .25 .048 .670
P     .36899 .39827    .25       .51
O1     .4852  .3272    .25       .90
O2     .4670  .5879    .25       .98
O3    .25737  .3418  .0706      1.16
F          0      0    .25 .890 1.93
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Mn1.21
_database_code_amcsd 0001427
9.3430 9.3430 6.8227 90 90 120 P6_3/m
atom       x      y     z  occ Biso
Ca1      2/3    1/3 .0021 .795 .947
Mn1      2/3    1/3 .0021 .205 .947
Ca2  -.00708 .24157   .25 .935 .751
Mn2  -.00708 .24157   .25 .065 .751
P     .36997 .39878   .25       .71
O1     .4883  .3298   .25      1.19
O2     .4656  .5882   .25      2.01
O3     .2581  .3406 .0702      1.87
F          0      0   .25 .740 2.31
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Mn.42
_database_code_amcsd 0001428
9.3596 9.3596 6.8603 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00155 .918 .828
Mn1      2/3    1/3 .00155 .083 .828
Ca2  -.00704 .24157    .25 .985 .751
Mn2  -.00704 .24157    .25 .015 .751
P     .36937 .39843    .25      .573
O1     .4859  .3273    .25       .97
O2     .4666  .5882    .25      1.29
O3     .2575  .3414  .0707      1.39
F          0      0    .25 .930 1.87
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 70
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