|
Marialite |
 |
Papike J J, Zoltai T |
 |
American Mineralogist 50 (1965) 641-655 |
|
The crystal structure of a marialite scapolite |
|
_database_code_amcsd 0000134 |
|
12.060 12.060 7.572 90 90 90 I4/m |
|
atom x y z occ Biso |
|
Na .1340 .2113 0 .79 2.65 |
|
Ca .1340 .2113 0 .19 2.65 |
|
K .1340 .2113 0 .02 2.65 |
|
Si1 .3388 .4104 0 .82 |
|
Si2 .3374 .0851 .2060 .55 .76 |
|
Al2 .3374 .0851 .2060 .46 .76 |
|
O1 .4587 .3483 0 1.60 |
|
O2 .3066 .1206 0 2.14 |
|
O3 .0517 .3500 .2148 1.55 |
|
O4 .2293 .1289 .3281 1.37 |
|
Cl 0 0 0 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mizzonite |
| |
Papike J J, Stephenson N C |
|
American Mineralogist 51 (1966) 1014-1027 |
|
The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite |
|
_database_code_amcsd 0000148 |
|
12.169 12.169 7.569 90 90 90 I4/m |
|
atom x y z occ Biso |
|
Ca .1428 .2170 0 .67 1.13 |
|
Na .1428 .2170 0 .19 1.13 |
|
K .1428 .2170 0 .11 1.13 |
|
Mg .1428 .2170 0 .03 1.13 |
|
Si1 .3391 .4084 0 .71 -.08 |
|
Al1 .3391 .4084 0 .29 -.08 |
|
Si2 .3393 .0866 .2069 .48 .03 |
|
Al2 .3393 .0866 .2069 .52 .03 |
|
O1 .4581 .3480 0 .58 |
|
O2 .3120 .1280 0 .87 |
|
O3 .0510 .3489 .2081 .84 |
|
O4 .2332 .1354 .3263 .79 |
|
C 0 0 0 .83 1.80 |
|
O-C1 0 0 0 .83 1.80 |
|
O-C2 0 0 0 .83 1.80 |
|
O-C3 0 0 0 .83 1.80 |
|
S 0 0 0 .15 1.80 |
|
O-S1 0 0 0 .15 1.80 |
|
O-S2 0 0 0 .15 1.80 |
|
O-S3 0 0 0 .15 1.80 |
|
O-S4 0 0 0 .15 1.80 |
|
Cl 0 0 0 .02 1.80 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Prehnite |
|
Papike J J, Zoltai T |
|
American Mineralogist 52 (1967) 974-984 |
|
Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2 |
|
_database_code_amcsd 0000157 |
|
4.646 5.483 18.486 90 90 90 Pncm |
|
atom x y z occ Biso |
|
Ca 0 .5 .0992 .41 |
|
Al 0 0 0 .26 |
|
Si1 .5 0 .1195 .25 |
|
Si2 .1895 .25 .25 .5 .20 |
|
Al2 .1895 .25 .25 .5 .20 |
|
O1 .7511 .1323 .0739 .45 |
|
O2 .3686 .2130 .1716 .59 |
|
O3 0 0 .2687 1.55 |
|
OH .2054 .3018 0 .68 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Omphacite |
|
Clark J R, Papike J J |
|
American Mineralogist 53 (1968) 840-868 |
|
Crystal-chemical characterization of omphacites |
|
_database_code_amcsd 0000175 |
|
9.596 8.771 5.265 90 106.93 90 P2 |
|
atom x y z occ Biso |
|
Si1A .2890 .0972 .9774 .17 |
|
Si2A .2881 .9135 .4820 .17 |
|
Si1C .2137 .5880 .0196 .17 |
|
Si2C .2103 .4027 .5232 .17 |
|
Mg1 0 .9122 0 .81 .2 |
|
Fe1 0 .9122 0 .19 .2 |
|
Al11 0 .1002 .5 .95 .3 |
|
Fe11 0 .1002 .5 .05 .3 |
|
Al1H .5 .4045 0 .82 .3 |
|
Fe1H .5 .4045 0 .18 .3 |
|
Mg11H .5 .5957 .5 .80 .2 |
|
Fe11H .5 .5957 .5 .20 .2 |
|
Na2 0 .3036 0 .64 .8 |
|
Ca2 0 .3036 0 .36 .8 |
|
Na21 0 .7017 .5 .36 .7 |
|
Ca21 0 .7017 .5 .64 .7 |
|
Na2H .5 .8009 0 .03 .8 |
|
Ca2H .5 .8009 0 .97 .8 |
|
Na21H .5 .1996 .5 .64 .8 |
|
Ca21H .5 .1996 .5 .36 .8 |
|
O11A .112 .088 .864 .4 |
|
O12A .110 .922 .405 .4 |
|
O11C .386 .567 .103 .4 |
|
O12C .385 .411 .620 .4 |
|
O21A .364 .263 .066 .4 |
|
O22A .347 .747 .551 .4 |
|
O21C .133 .749 .939 .4 |
|
O22C .135 .244 .446 .4 |
|
O31A .360 .022 .757 .4 |
|
O32A .350 .994 .252 .4 |
|
O31C .154 .515 .255 .4 |
|
O32C .147 .489 .750 .4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glaucophane |
|
Papike J J, Clark J R |
|
American Mineralogist 53 (1968) 1156-1173 |
|
The crystal structure and cation distribution of glaucophane |
|
_database_code_amcsd 0000182 |
|
9.541 17.740 5.295 90 103.67 90 C2/m |
|
atom x y z occ Biso |
|
Mg1 0 .0908 .5 .84 .38 |
|
Fe1 0 .0908 .5 .16 .38 |
|
Al2 0 .1807 0 .91 .26 |
|
Fe2 0 .1807 0 .09 .26 |
|
Mg3 0 0 0 .71 .24 |
|
Fe3 0 0 0 .29 .24 |
|
Na4 0 .2772 .5 .98 .80 |
|
Ca4 0 .2772 .5 .02 .80 |
|
Si1 .2831 .0871 .2931 .31 |
|
Si2 .2920 .1730 .8087 .29 |
|
O1 .1092 .0927 .2037 .50 |
|
O2 .1177 .1714 .7480 .50 |
|
OH3 .1126 0 .7088 .65 |
|
O4 .3679 .2529 .8058 .61 |
|
O5 .3548 .1318 .0893 .64 |
|
O6 .3407 .1224 .5814 .68 |
|
O7 .3317 0 .3018 .66 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gedrite |
|
Papike J J, Ross M |
|
American Mineralogist 55 (1970) 1945-1972 |
|
Gedrites: Crystal structures and intracrystalline cation distributions |
|
sample 001 |
|
_database_code_amcsd 0000215 |
|
18.531 17.741 5.249 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Si1A .2315 -.1631 -.4487 .66 .43 |
|
Al1A .2315 -.1631 -.4487 .34 .43 |
|
Si1B .0202 -.1645 .2971 .62 .42 |
|
Al1B .0202 -.1645 .2971 .38 .42 |
|
Si2A .2278 -.0760 .0502 .46 |
|
Si2B .0266 -.0802 -.1985 .84 .58 |
|
Al2B .0266 -.0802 -.1985 .16 .58 |
|
Mg1 .1244 .1611 .3737 .88 .75 |
|
Fe1 .1244 .1611 .3737 .12 .75 |
|
Al2 .1248 .0731 -.1281 .60 .34 |
|
Mg2 .1248 .0731 -.1281 .36 .34 |
|
Fe2 .1248 .0731 -.1281 .04 .34 |
|
Mg3 .1249 .25 -.1248 .90 .47 |
|
Fe3 .1249 .25 -.1248 .10 .47 |
|
Mg4 .1189 -.0145 .3636 .55 .63 |
|
Fe4 .1189 -.0145 .3636 .42 .63 |
|
Ca4 .1189 -.0145 .3636 .02 .63 |
|
Na4 .1189 -.0145 .3636 .01 .63 |
|
Na .1151 -.2500 .8533 .34 1.47 |
|
O1A .1796 .1603 .0312 .40 |
|
O1B .0695 .1584 -.2860 .92 |
|
O2A .1840 .0737 -.4436 1.05 |
|
O2B .0622 .0742 .1875 .50 |
|
O3A .1797 .25 -.4571 1.02 |
|
O3B .0700 .25 .2087 .75 |
|
O4A .1868 .0022 .0425 .62 |
|
O4B .0679 -.0046 -.2985 .74 |
|
O5A .1968 -.1090 .3206 1.06 |
|
O5B .0549 -.1026 .0943 .72 |
|
O6A .2022 -.1313 -.1752 .73 |
|
O6B .0472 -.1450 -.4097 1.49 |
|
O7A .2030 -.2500 .5138 .65 |
|
O7B .0454 -.2500 .2153 1.31 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sodicgedrite |
| |
Papike J J, Ross M |
|
American Mineralogist 55 (1970) 1945-1972 |
|
Gedrites: Crystal structures and intracrystalline cation distributions |
|
sample 002 |
|
_database_code_amcsd 0000216 |
|
18.601 17.839 5.284 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Si1A .2323 -.1626 -.4505 .73 .56 |
|
Al1A .2323 -.1626 -.4505 .27 .56 |
|
Si1B .0199 -.1641 .3018 .56 .50 |
|
Al1B .0199 -.1641 .3018 .44 .50 |
|
Si2A .2282 -.0759 .0509 .98 .44 |
|
Al2A .2282 -.0759 .0509 .02 .44 |
|
Si2B .0268 -.0799 -.1947 .71 .59 |
|
Al2B .0268 -.0799 -.1947 .29 .59 |
|
Mg1 .1242 .1603 .3705 .67 .71 |
|
Fe1 .1242 .1603 .3705 .33 .71 |
|
Al2 .1247 .0724 -.1290 .68 .30 |
|
Mg2 .1247 .0724 -.1290 .23 .30 |
|
Fe2 .1247 .0724 -.1290 .09 .30 |
|
Mg3 .1243 .25 -.1294 .61 .57 |
|
Fe3 .1243 .25 -.1294 .39 .57 |
|
Fe4 .1184 -.0153 .3635 .65 .62 |
|
Mg4 .1184 -.0153 .3635 .32 .62 |
|
Ca4 .1184 -.0153 .3635 .02 .62 |
|
Na4 .1184 -.0153 .3635 .01 .62 |
|
Na .1171 -.2500 .8480 .52 1.53 |
|
O1A .1790 .1581 .0315 .78 |
|
O1B .0701 .1568 -.2900 .76 |
|
O2A .1850 .0731 -.4409 .80 |
|
O2B .0635 .0739 .1808 .85 |
|
O3A .1811 .25 -.4662 .77 |
|
O3B .0701 .25 .2111 .90 |
|
O4A .1863 .0028 .0445 .85 |
|
O4B .0685 -.0049 -.2986 .86 |
|
O5A .1973 -.1100 .3215 .78 |
|
O5B .0545 -.1014 .0989 1.01 |
|
O6A .2030 -.1320 -.1763 1.12 |
|
O6B .0473 -.1461 -.4036 1.10 |
|
O7A .2050 -.2500 .5141 1.18 |
|
O7B .0453 -.2500 .2154 .77 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
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 = 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)
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 = 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)
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 = 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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 = 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boracite |
|
Sueno S, Clark J R, Papike J J, Konnert J A |
|
American Mineralogist 58 (1973) 691-697 |
|
Crystal-structure refinement of cubic boracite |
|
Note: This is a high-temperature phase of boracite |
|
Locality: Solvayshall, Roschwitz, Germany |
|
T = 400 C |
|
_database_code_amcsd 0000382 |
|
12.0986 12.0986 12.0986 90 90 90 F-43c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 .25 .25 .0111 .0015 .0015 0 0 0 |
|
B1 .25 0 0 .0007 .0011 .0011 0 0 0 |
|
B2 .0808 .0808 .0808 .0019 .0019 .0019 .0010 .0010 .0010 |
|
O1 0 0 0 .0018 .0018 .0018 0 0 0 |
|
O2 .0987 .0214 .1821 .0011 .0016 .0011 .0005 .0003 .0004 |
|
Cl .25 .25 .25 .0054 .0054 .0054 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Levien L, Papike J J |
|
American Mineralogist 61 (1976) 864-877 |
|
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group |
|
disorder, and thermal expansion |
|
before heating |
|
_database_code_amcsd 0000527 |
|
12.069 12.069 7.581 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6136 .5361 .7641 .625 .00328 .00283 .0105 .00167 -.00020 .00000 |
|
Ca .6136 .5361 .7641 .375 .00328 .00283 .0105 .00167 -.00020 .00000 |
|
Si1 .5892 .6592 .2469 .00077 .00079 .0035 -.00005 -.00012 -.00012 |
|
Al2 .9097 .1659 .0492 .00095 .00119 .0030 .00008 .00024 .00011 |
|
Si3 .6626 .0854 .9619 .00091 .00112 .0027 .00001 -.00013 .00000 |
|
C .2600 .2300 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
Cl .75 .75 .75 .5 .0066 .0066 .0170 0 0 0 |
|
O1 .7084 .6016 .2523 .0010 .0023 .0071 .0002 .0002 .0001 |
|
O2 .9430 .1268 .2626 .0027 .0019 .0032 .0009 .0005 -.0003 |
|
O3 .6000 .1906 .0447 .0025 .0016 .0069 .0007 .0002 -.0007 |
|
O4 .7949 .0964 .9681 .0010 .0029 .0069 -.0004 -.0005 -.0000 |
|
O5 .5202 .6179 .0774 .0024 .0018 .0079 .0002 -.0028 -.0009 |
|
O6 .6216 .9783 .0775 .0015 .0018 .0071 -.0001 -.0007 .0013 |
|
O7 .27 .12 .25 .125 .0080 .0080 .0160 0 0 -.0001 |
|
O8 .36 .28 .24 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
O9 .17 .28 .24 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Levien L, Papike J J |
|
American Mineralogist 61 (1976) 864-877 |
|
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group |
|
disorder, and thermal expansion |
|
after heating |
|
_database_code_amcsd 0000528 |
|
12.082 12.082 7.576 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6127 .5358 .7634 .625 .00321 .00303 .0121 .00164 -.0003 .0001 |
|
Ca .6127 .5358 .7634 .375 .00321 .00303 .0121 .00164 -.0003 .0001 |
|
Si1 .5891 .6595 .2472 .00087 .00091 .00400 -.00005 -.00005 .00001 |
|
Al2 .9097 .1662 .0487 .00101 .00119 .00340 -.00002 .00034 .00021 |
|
Si3 .6629 .0857 .9613 .00101 .00131 .00300 -.00005 -.00013 -.00018 |
|
C .2600 .2300 .2400 .125 .008 .008 .016 .0000 .0000 -.0001 |
|
Cl .75 .75 .75 .5 .0095 .0095 .0170 0 0 0 |
|
O1 .7080 .6011 .2525 .0013 .0020 .0083 .0004 -.0008 -.0002 |
|
O2 .9424 .1277 .2617 .0030 .0021 .0038 .0010 .0005 -.0003 |
|
O3 .6005 .1915 .0439 .0027 .0018 .0072 .0006 -.0001 -.0007 |
|
O4 .7953 .0974 .9685 .0013 .0033 .0070 -.0007 -.0004 .0002 |
|
O5 .5198 .6184 .0767 .0027 .0020 .0085 .0001 -.0019 -.0014 |
|
O6 .6216 .9788 .0766 .0020 .0021 .0084 -.0004 -.0002 .0024 |
|
O7 .2700 .1200 .25 .125 .0080 .0080 .0160 0 0 -.0001 |
|
O8 .3600 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
O9 .1700 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 24 deg C |
|
feldspar |
|
_database_code_amcsd 0000536 |
|
8.153 12.8694 7.1070 93.521 116.458 90.257 C-1 |
|
atom x y z occ Biso |
|
Na .2737 .0073 .1329 7.62 |
|
Si1o .0090 .1650 .2148 .75 .78 |
|
Al1o .0090 .1650 .2148 .25 .78 |
|
Si1m .0048 .8145 .2290 .75 .78 |
|
Al1m .0048 .8145 .2290 .25 .78 |
|
Si2o .6902 .1079 .3202 .75 .82 |
|
Al2o .6902 .1079 .3202 .25 .82 |
|
Si2m .6849 .8776 .3535 .75 .79 |
|
Al2m .6849 .8776 .3535 .25 .79 |
|
Oa1 .0055 .1351 .9845 1.62 |
|
Oa2 .5916 .9907 .2783 1.32 |
|
Obo .8212 .1084 .1990 1.65 |
|
Obm .8184 .8470 .2455 1.89 |
|
Oco .0162 .2902 .2770 1.45 |
|
Ocm .0213 .6873 .2180 1.49 |
|
Odo .1959 .1123 .3876 1.44 |
|
Odm .1885 .8675 .4266 1.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 350 deg C |
|
feldspar |
|
_database_code_amcsd 0000537 |
|
8.1829 12.8947 7.1190 93.041 116.352 90.172 C-1 |
|
atom x y z occ Biso |
|
Na .2748 .0059 .1348 8.60 |
|
Si1o .0089 .1674 .2164 .75 1.22 |
|
Al1o .0089 .1674 .2164 .25 1.22 |
|
Si1m .0054 .8155 .2284 .75 1.21 |
|
Al1m .0054 .8155 .2284 .25 1.21 |
|
Si2o .6919 .1096 .3242 .75 1.24 |
|
Al2o .6919 .1096 .3242 .25 1.24 |
|
Si2m .6877 .8785 .3525 .75 1.23 |
|
Al2m .6877 .8785 .3525 .25 1.23 |
|
Oa1 .0046 .1359 .9874 2.44 |
|
Oa2 .5951 .9924 .2798 1.84 |
|
Obo .8210 .1136 .2021 2.48 |
|
Obm .8198 .8491 .2434 2.90 |
|
Oco .0198 .2933 .2748 2.26 |
|
Ocm .0224 .6890 .2241 2.27 |
|
Odo .1942 .1141 .3900 2.27 |
|
Odm .1882 .8688 .4234 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
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 600 deg C |
|
feldspar |
|
_database_code_amcsd 0000538 |
|
8.2097 12.9182 7.1284 92.482 116.282 90.128 C-1 |
|
atom x y z occ Biso |
|
Na .2761 .0037 .1374 10.02 |
|
Si1o .0088 .1697 .2174 .75 1.62 |
|
Al1o .0088 .1697 .2174 .25 1.62 |
|
Si1m .0061 .8165 .2275 .75 1.60 |
|
Al1m .0061 .8165 .2275 .25 1.60 |
|
Si2o .6931 .1110 .3281 .75 1.62 |
|
Al2o .6931 .1110 .3281 .25 1.62 |
|
Si2m .6902 .8796 .3510 .75 1.63 |
|
Al2m .6902 .8796 .3510 .25 1.63 |
|
Oa1 .0039 .1371 .9896 3.04 |
|
Oa2 .5982 .9938 .2810 2.41 |
|
Obo .8217 .1185 .2071 3.38 |
|
Obm .8208 .8522 .2402 3.61 |
|
Oco .0210 .2955 .2709 2.85 |
|
Ocm .0236 .6899 .2310 2.93 |
|
Odo .1927 .1158 .3928 3.03 |
|
Odm .1881 .8697 .4195 3.32 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 750 deg C |
|
feldspar |
|
_database_code_amcsd 0000539 |
|
8.2296 12.9336 7.1357 91.956 116.232 90.078 C-1 |
|
atom x y z occ Biso |
|
Na .2769 .0029 .1374 10.80 |
|
Si1o .0087 .1718 .2189 .75 1.89 |
|
Al1o .0087 .1718 .2189 .25 1.89 |
|
Si1m .0066 .8177 .2268 .75 1.85 |
|
Al1m .0066 .8177 .2268 .25 1.85 |
|
Si2o .6940 .1123 .3316 .75 1.88 |
|
Al2o .6940 .1123 .3316 .25 1.88 |
|
Si2m .6919 .8805 .3494 .75 1.89 |
|
Al2m .6919 .8805 .3494 .25 1.89 |
|
Oa1 .0030 .1374 .9912 3.60 |
|
Oa2 .6012 .9951 .2825 2.85 |
|
Obo .8221 .1225 .2114 3.86 |
|
Obm .8216 .8548 .2370 4.24 |
|
Oco .0226 .2974 .2670 3.26 |
|
Ocm .0242 .6915 .2376 3.38 |
|
Odo .1912 .1175 .3951 3.51 |
|
Odm .1882 .8714 .4166 3.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 950 deg C |
|
feldspar |
|
_database_code_amcsd 0000540 |
|
8.2508 12.9489 7.1431 91.161 116.169 90.03 C-1 |
|
atom x y z occ Biso |
|
Na .2780 .0019 .1371 11.66 |
|
Si1o .0086 .1746 .2210 .75 2.17 |
|
Al1o .0086 .1746 .2210 .25 2.17 |
|
Si1m .0072 .8194 .2253 .75 2.16 |
|
Al1m .0072 .8194 .2253 .25 2.16 |
|
Si2o .6951 .1141 .3363 .75 2.20 |
|
Al2o .6951 .1141 .3363 .25 2.20 |
|
Si2m .6938 .8820 .3465 .75 2.21 |
|
Al2m .6938 .8820 .3465 .25 2.21 |
|
Oa1 .0016 .1380 .9952 3.98 |
|
Oa2 .6033 .9971 .2831 3.22 |
|
Obo .8226 .1282 .2169 4.52 |
|
Obm .8222 .8593 .2323 4.75 |
|
Oco .0239 .3005 .2619 3.79 |
|
Ocm .0247 .6933 .2455 3.89 |
|
Odo .1894 .1198 .4001 4.07 |
|
Odm .1881 .8736 .4117 4.13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 1090 deg C |
|
feldspar |
|
_database_code_amcsd 0000541 |
|
8.2763 12.9593 7.1463 90.097 116.092 89.988 C-1 |
|
atom x y z occ Biso |
|
Na .2793 0 .1377 12.67 |
|
Si1o .0084 .1782 .2227 .75 2.52 |
|
Al1o .0084 .1782 .2227 .25 2.52 |
|
Si1m .0080 .8215 .2232 .75 2.51 |
|
Al1m .0080 .8215 .2232 .25 2.51 |
|
Si2o .6962 .1160 .3418 .75 2.53 |
|
Al2o .6962 .1160 .3418 .25 2.53 |
|
Si2m .6961 .8838 .3428 .75 2.49 |
|
Al2m .6961 .8838 .3428 .25 2.49 |
|
Oa1 -.0005 .1389 .9987 4.38 |
|
Oa2 .6055 .9998 .2847 3.46 |
|
Obo .8235 .1336 .2240 5.35 |
|
Obm .8233 .8651 .2257 5.26 |
|
Oco .0263 .3039 .2536 4.62 |
|
Ocm .0261 .6958 .2521 4.67 |
|
Odo .1879 .1233 .4042 4.45 |
|
Odm .1879 .8758 .4061 4.49 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Prewitt C T, Sueno S, Papike J J |
|
American Mineralogist 61 (1976) 1213-1225 |
|
The crystal structures of high albite and monalbite at high temperatures |
|
T = 1105 deg C |
|
feldspar |
|
_database_code_amcsd 0000542 |
|
8.278 12.959 7.145 90.1 116.1 90 C-1 |
|
atom x y z occ Biso |
|
Na .2797 0 .1382 12.59 |
|
Si1o .0081 .1783 .2230 .75 2.50 |
|
Al1o .0081 .1783 .2230 .25 2.50 |
|
Si1m .0080 .8214 .2233 .75 2.53 |
|
Al1m .0080 .8214 .2233 .25 2.53 |
|
Si2o .6963 .1160 .3420 .75 2.51 |
|
Al2o .6963 .1160 .3420 .25 2.51 |
|
Si2m .6964 .8838 .3426 .75 2.50 |
|
Al2m .6964 .8838 .3426 .25 2.50 |
|
Oa1 .0002 .1390 .9995 4.42 |
|
Oa2 .6072 .9999 .2850 3.43 |
|
Obo .8238 .1345 .2242 5.31 |
|
Obm .8239 .8654 .2252 5.35 |
|
Oco .0266 .3041 .2534 4.61 |
|
Ocm .0264 .6957 .2525 4.60 |
|
Odo .1882 .1236 .4050 4.52 |
|
Odm .1875 .8761 .4056 4.49 |
|
|
| 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, 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)
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 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)
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 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
