|
Aegirine |
 |
Cameron M, Sueno S, Prewitt C T, Papike J J |
 |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Spodumene |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Spodumene |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Spodumene |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kosmochlor |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Cameron M, Sueno S, Prewitt C T, Papike J J |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tremolite |
|
Sueno S, Cameron M, Papike J J, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tremolite |
|
Sueno S, Cameron M, Papike J J, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tremolite |
|
Cameron M, Gibbs G V |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Na, 24 deg 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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Na fluor-richterite 400C |
|
_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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Na fluor-richterite 600C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Na fluor-richterite 800C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Na fluor-richterite 900C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
K fluor-richterite 24C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
K fluor-richterite 400C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
K fluor-richterite 600C |
|
_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
|
| |
|
Fluororichterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
K fluor-richterite 800C |
|
_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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydroxylapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaOH) |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydroxylapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaOH) |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Mariano A N |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
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
|
| |
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