|
Schorl |
 |
Foit F F |
 |
American Mineralogist 74 (1989) 422-431 |
|
Crystal chemistry of alkali-deficient schorl and tourmaline structural |
|
relationships |
|
Locality: Jack Creek deposit, near Basin, Montana, USA |
|
_database_code_amcsd 0001229 |
|
15.963 15.963 7.148 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .2215 .55 0.0268 0.0268 0.0207 0.0134 0 0 |
|
FeY .12292 .06146 .6297 .587 0.0073 0.0044 0.0125 .00365 -.0039 -.00195 |
|
AlY .12292 .06146 .6297 .297 0.0240 0.0237 0.0083 0.0120 0.0036 .0018 |
|
MgY .12292 .06146 .6297 .110 0.0240 0.0237 0.0083 0.0120 0.0036 .0018 |
|
TiY .12292 .06146 .6297 .006 0.0240 0.0237 0.0083 0.0120 0.0036 .0018 |
|
AlZ .29800 .26134 .6094 0.0049 0.0056 0.0047 0.0026 -.0002 .0007 |
|
SiT .19180 .18981 0 .977 0.0055 0.0056 0.0060 0.0026 -.0002 -.0006 |
|
AlT .19180 .18981 0 .023 0.0055 0.0056 0.0060 0.0026 -.0002 -.0006 |
|
B .1101 .2202 .4535 0.0072 0.0093 0.0085 .00465 .0000 .0000 |
|
O1 0 0 .7771 .48 0.0339 0.0339 0.0107 .01695 0 0 |
|
OH1 0 0 .7771 .38 0.0339 0.0339 0.0107 .01695 0 0 |
|
F1 0 0 .7771 .14 0.0339 0.0339 0.0107 .01695 0 0 |
|
O2 .06166 .12332 .4871 0.0217 0.0086 0.0101 0.0043 .00035 .0007 |
|
O3 .2666 .1333 .5083 0.0222 0.1199 0.0074 0.0111 .0007 .00035 |
|
O4 .09380 .18760 .0694 0.0081 0.0159 0.0104 .00795 -.0003 -.0006 |
|
O5 .1877 .09385 .0922 0.0153 0.0087 0.0105 .00765 .0010 .0005 |
|
O6 .1971 .1867 .7754 0.0106 0.0105 0.0053 0.0049 -.0002 -.0006 |
|
O7 .2854 .28601 .0783 0.0079 0.0072 0.0081 0.0022 .0003 -.0011 |
|
O8 .2099 .2706 .4397 0.0068 0.0116 0.0107 0.0048 .0008 .0020 |
|
H3 .268 .134 .398 .047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
American Mineralogist 84 (1999) 922-928 |
|
Linking structure and chemistry in the schorl-dravite series |
|
Sample 108749 |
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Locality: Madagascar |
|
_database_code_amcsd 0002238 |
|
15.939 15.939 7.146 90 90 120 R3m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX 0 0 .25 .711 .00202 .00202 .0091 .00101 0 0 |
|
CaX 0 0 .25 .100 .00202 .00202 .0091 .00101 0 0 |
|
KX 0 0 .25 .043 .00202 .00202 .0091 .00101 0 0 |
|
FeY .27140 .54280 .32225 .411 .00082 .00110 .00571 .00055 .000385 .00077 |
|
MgY .27140 .54280 .32225 .136 .00082 .00110 .00571 .00055 .000385 .00077 |
|
AlY .27140 .54280 .32225 .428 .00082 .00110 .00571 .00055 .000385 .00077 |
|
TiY .27140 .54280 .32225 .016 .00082 .00110 .00571 .00055 .000385 .00077 |
|
VY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077 |
|
LiY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077 |
|
ZnY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077 |
|
AlZ .29802 .26158 .63386 .927 .00050 .00049 .00161 .000245 -.00007 .00004 |
|
MgZ .29802 .26158 .63386 .073 .00050 .00049 .00161 .000245 -.00007 .00004 |
|
SiT .19205 .19007 .02373 .972 .00055 .00052 .00218 .00027 -.00002 -.000115 |
|
AlT .19205 .19007 .02373 .028 .00055 .00052 .00218 .00027 -.00002 -.000115 |
|
B .10995 .21990 .4766 .00090 .0007 .0022 .00035 .00005 .0001 |
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O1 0 0 .7984 .233 .0028 .0028 .0038 .0014 0 0 |
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OH1 0 0 .7984 .465 .0028 .0028 .0038 .0014 0 0 |
|
F1 0 0 .7984 .302 .0028 .0028 .0038 .0014 0 0 |
|
O2 .06111 .12222 .5082 .00193 .00079 .0040 .000395 .00000 .00000 |
|
OH3 .2660 .1330 .5326 .00242 .00125 .0025 .00121 .00000 .00000 |
|
O4 .09313 .18626 .0940 .00095 .00175 .0039 .000885 -.00015 -.0003 |
|
O5 .1858 .0929 .1168 .00180 .00086 .0041 .00090 .00015 .0003 |
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O6 .19696 .18640 .7984 .00099 .00119 .0025 .000545 -.0001 -.0002 |
|
O7 .28589 .28604 .1022 .00083 .00076 .0031 .000205 -.0001 -.00025 |
|
O8 .20956 .27008 .4632 .00074 .00105 .0040 .00049 .00005 .00045 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
American Mineralogist 84 (1999) 922-928 |
|
Linking structure and chemistry in the schorl-dravite series |
|
Sample HP2-1 |
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Locality: Harney Peak Granite, Custer County, South Dakota, USA |
|
_database_code_amcsd 0002241 |
|
15.946 15.946 7.157 90 90 120 R3m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX 0 0 .25 .540 .0017 .0017 .0079 .00085 0 0 |
|
CaX 0 0 .25 .027 .0017 .0017 .0079 .00085 0 0 |
|
KX 0 0 .25 .025 .0017 .0017 .0079 .00085 0 0 |
|
FeY .27130 .54260 .3159 .557 .00075 .00110 .00579 .00055 .00026 .00052 |
|
MgY .27130 .54260 .3159 .026 .00075 .00110 .00579 .00055 .00026 .00052 |
|
MnY .27130 .54260 .3159 .004 .00075 .00110 .00579 .00055 .00026 .00052 |
|
ZnY .27130 .54260 .3159 .002 .00075 .00110 .00579 .00055 .00026 .00052 |
|
AlY .27130 .54260 .3159 .399 .00075 .00110 .00579 .00055 .00026 .00052 |
|
TiY .27130 .54260 .3159 .003 .00075 .00110 .00579 .00055 .00026 .00052 |
|
VY .27130 .54260 .3159 .002 .00075 .00110 .00579 .00055 .00026 .00052 |
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AlZ .29822 .26160 .6299 .907 .00041 .00045 .00142 .000195 .000005 .00009 |
|
MgZ .29822 .26160 .6299 .093 .00041 .00045 .00142 .000195 .000005 .00009 |
|
SiT .19184 .18982 .0193 .00055 .00047 .00235 .000255 -.00008 -.00013 |
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B .1104 .2208 .4741 .0007 .0011 .0027 .00055 .0001 .0002 |
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O1 0 0 .7957 .400 .0033 .0033 .0035 .00165 0 0 |
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OH1 0 0 .7957 .396 .0033 .0033 .0035 .00165 0 0 |
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F1 0 0 .7957 .204 .0033 .0033 .0035 .00165 0 0 |
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O2 .06144 .12288 .5064 .0022 .0009 .0044 .00045 .0001 .0002 |
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OH3 .2665 .13325 .5288 .0027 .00130 .0023 .00135 .0001 .00005 |
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O4 .09323 .18646 .0880 .00082 .0015 .0041 .00075 -.00015 -.0003 |
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O5 .1868 .0934 .1109 .0016 .00084 .0041 .0008 .00025 .000125 |
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O6 .1968 .1864 .7949 .00120 .00122 .0023 .000635 -.00025 -.0002 |
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O7 .2853 .2856 .0981 .00072 .00065 .0037 .00020 -.00015 -.00025 |
|
O8 .2099 .2703 .4597 .00084 .00121 .0049 .00065 .0001 .00035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Camara F, Ottolini L, Hawthorne F C |
|
American Mineralogist 87 (2000) 1437-1442 |
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Crystal chemistry of three tourmalines by SREF, EMPA and SIMS |
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Sample: Crystal 2 |
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Locality: Alto Lighona pegmatite field, Zambezia, Mozambique |
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_database_code_amcsd 0002914 |
|
15.983 15.983 7.152 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaX 0 0 .8186 .64 .024 .024 .024 .012 0 0 |
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CaX 0 0 .8186 .03 .024 .024 .024 .012 0 0 |
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KX 0 0 .8186 .01 .024 .024 .024 .012 0 0 |
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Fe2Y .0617 .9383 .4102 .57 .007 .007 .012 .002 .002 -.002 |
|
AlY .0617 .9383 .4102 .29 .007 .007 .012 .002 .002 -.002 |
|
TiY .0617 .9383 .4102 .02 .007 .007 .012 .002 .002 -.002 |
|
MnY .0617 .9383 .4102 .06 .007 .007 .012 .002 .002 -.002 |
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ZnY .0617 .9383 .4102 .01 .007 .007 .012 .002 .002 -.002 |
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LiY .0617 .9383 .4102 .11 .007 .007 .012 .002 .002 -.002 |
|
AlZ .2615 .2983 .4291 .94 .006 .006 .006 .003 -.001 .000 |
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FeZ .2615 .2983 .4291 .05 .006 .006 .006 .003 -.001 .000 |
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MgZ .2615 .2983 .4291 .01 .006 .006 .006 .003 -.001 .000 |
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Si .1900 .1919 .0393 .96 .005 .005 .006 .003 .000 .000 |
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Al .1900 .1919 .0393 .04 .005 .005 .006 .003 .000 .000 |
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B .8898 .1102 .5853 .007 .007 .008 .003 .000 .000 |
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OH1 0 0 .2563 .85 .048 .048 .014 .024 0 0 |
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F1 0 0 .2563 .15 .048 .048 .014 .024 0 0 |
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O2 .9384 .0616 .5560 .021 .021 .012 .018 .000 .000 |
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OH3 .1344 .8657 .5300 .012 .012 .007 .002 .000 .000 |
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O4 .9066 .0934 .9704 .008 .008 .009 .001 -.001 .001 |
|
O5 .0935 .9065 .9482 .008 .008 .009 .000 .000 .000 |
|
O6 .1877 .1978 .2642 .010 .009 .006 .004 .000 .000 |
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O7 .2859 .2854 .9602 .006 .007 .008 .002 .001 .001 |
|
O8 .2708 .2099 .5990 .010 .006 .011 .004 -.002 -.001 |
|
H3 .1319 .8681 .6610 .023 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S |
|
American Mineralogist 90 (2005) 1784-1792 |
|
Crystal chemistry of the elbaite-schorl series |
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Locality: Cruziero pegmatite, Minas Gerais, Brazil |
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Sample: L3h |
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_database_code_amcsd 0003957 |
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15.9784 15.9784 7.1495 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .22524 .036 .024 |
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NaX 0 0 .22524 .602 .024 |
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KX 0 0 .22524 .008 .024 |
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TiY .12441 .062205 .62765 .009 .0085 |
|
AlY .12441 .062205 .62765 .3337 .0085 |
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Fe3+Y .12441 .062205 .62765 .180 .0085 |
|
Fe2+Y .12441 .062205 .62765 .3883 .0085 |
|
MnY .12441 .062205 .62765 .0327 .0085 |
|
ZnY .12441 .062205 .62765 .0157 .0085 |
|
LiY .12441 .062205 .62765 .0403 .0085 |
|
AlZ .29841 .26156 .61074 .961 .0054 |
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FeZ .29841 .26156 .61074 .0338 .0054 |
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MgZ .29841 .26156 .61074 .010 .0054 |
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B .11023 .22046 .45497 .0062 |
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SiT .19199 .18992 0 .9723 .0048 |
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AlT .19199 .18992 0 .0277 .0048 |
|
F1W 0 0 .78194 .235 .051 |
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OH1W 0 0 .78194 .303 .051 |
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O1 0 0 .78194 .462 .051 |
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O2 .06164 .12328 .48594 .0159 |
|
O3V .26832 .13416 .50951 .0112 |
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O4 .09332 .18664 .06841 .0094 |
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O5 .18760 .09380 .09145 .0098 |
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O6 .19796 .18744 .77538 .0079 |
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O7 .28530 .28592 .07952 .0072 |
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O8 .20982 .27070 .44079 .0085 |
|
H3 .249 .1245 .36 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S |
|
American Mineralogist 90 (2005) 1784-1792 |
|
Crystal chemistry of the elbaite-schorl series |
|
Locality: Cruziero pegmatite, Minas Gerais, Brazil |
|
Sample: L4b |
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_database_code_amcsd 0003958 |
|
15.9658 15.9658 7.1487 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .22748 .009 .0234 |
|
NaX 0 0 .22748 .632 .0234 |
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KX 0 0 .22748 .009 .0234 |
|
TiY .12424 .06212 .62749 .0077 .00755 |
|
AlY .12424 .06212 .62749 .3523 .00755 |
|
Fe3+Y .12424 .06212 .62749 .1393 .00755 |
|
Fe2+Y .12424 .06212 .62749 .3797 .00755 |
|
MnY .12424 .06212 .62749 .0413 .00755 |
|
ZnY .12424 .06212 .62749 .0223 .00755 |
|
LiY .12424 .06212 .62749 .0573 .00755 |
|
AlZ .29832 .26140 .61065 .9618 .0048 |
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Fe3Z .29832 .26140 .61065 .0275 .0048 |
|
FeZ .29832 .26140 .61065 .0087 .0048 |
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MgZ .29832 .26140 .61065 .002 .0048 |
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B .11013 .22026 .45520 .0054 |
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SiT .19190 .18991 0 .9882 .0040 |
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AlT .19190 .18991 0 .0118 .0040 |
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F1W 0 0 .78097 .295 .045 |
|
OH1W 0 0 .78097 .363 .045 |
|
O1 0 0 .78097 .342 .045 |
|
O2 .06147 .12294 .48621 .0152 |
|
O3V .26860 .13430 .50962 .0104 |
|
O4 .09339 .18678 .06905 .0086 |
|
O5 .18714 .09357 .09126 .0085 |
|
O6 .19779 .18738 .77572 .0069 |
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O7 .28519 .28571 .07954 .0062 |
|
O8 .20980 .27072 .44095 .0077 |
|
H3 .261 .1305 .390 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S |
|
American Mineralogist 90 (2005) 1784-1792 |
|
Crystal chemistry of the elbaite-schorl series |
|
Locality: Cruziero pegmatite, Minas Gerais, Brazil |
|
Sample: L4d |
|
_database_code_amcsd 0003959 |
|
15.9768 15.9768 7.1534 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .22648 .022 .0228 |
|
NaX 0 0 .22648 .556 .0228 |
|
KX 0 0 .22648 .007 .0228 |
|
TiY .12429 .062145 .62778 .0063 .00759 |
|
AlY .12429 .062145 .62778 .3557 .00759 |
|
Fe3+Y .12429 .062145 .62778 .1347 .00759 |
|
Fe2+Y .12429 .062145 .62778 .442 .00759 |
|
MnY .12429 .062145 .62778 .0143 .00759 |
|
MgY .12429 .062145 .62778 .0357 .00759 |
|
ZnY .12429 .062145 .62778 .011 .00759 |
|
AlZ .29840 .26155 .61057 .9533 .00447 |
|
Fe3Z .29840 .26155 .61057 .0417 .00447 |
|
FeZ .29840 .26155 .61057 .0002 .00447 |
|
MgZ .29840 .26155 .61057 .005 .00447 |
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B .11032 .22064 .45469 .0052 |
|
SiT .19196 .18992 0 .9805 .00387 |
|
AlT .19196 .18992 0 .0195 .00387 |
|
F1W 0 0 .78056 .201 .039 |
|
OH1W 0 0 .78056 .347 .039 |
|
O1 0 0 .78056 .452 .039 |
|
O2 .06170 .12340 .48699 .0146 |
|
O3V .26807 .134035 .50941 .0111 |
|
O4 .09342 .18684 .06841 .0084 |
|
O5 .18750 .09375 .09164 .0086 |
|
O6 .19789 .18741 .77562 .0070 |
|
O7 .28522 .28575 .07907 .0064 |
|
O8 .20983 .27073 .44069 .0079 |
|
H3 .254 .127 .386 .09 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Fortier S, Donnay G |
|
The Canadian Mineralogist 13 (1975) 173-177 |
|
Schorl refinement showing composition dependence of the tourmaline structure |
|
Locality: Andreasberg, Harz, Lower Saxony, Germany |
|
_database_code_amcsd 0005111 |
|
15.992 15.992 7.190 90 90 120 R3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .22353 .88 .0226 .0226 .0275 .0113 0 0 |
|
CaX 0 0 .22353 .11 .0226 .0226 .0275 .0113 0 0 |
|
KX 0 0 .22353 .01 .0226 .0226 .0275 .0113 0 0 |
|
FeY .12566 .06283 .62792 .69 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
AlY .12566 .06283 .62792 .15 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
MgY .12566 .06283 .62792 .04 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
CaY .12566 .06283 .62792 .02 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
TiY .12566 .06283 .62792 .02 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
LiY .12566 .06283 .62792 .02 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
MnY .12566 .06283 .62792 .01 .0046 .0046 .0107 .0011 .0016 -.0016 |
|
AlZ .29883 .26171 .61158 .94 .0034 .0038 .0044 .0016 .0001 .0007 |
|
FeZ .29883 .26171 .61158 .06 .0034 .0038 .0044 .0016 .0001 .0007 |
|
SiT .19177 .18986 0 .0034 .0031 .0052 .0016 -.0002 -.0005 |
|
B .11029 .22058 .45461 .0043 .0043 .0081 .0021 .0007 .0007 |
|
OH1 0 0 .78366 .0514 .0514 .0087 .0257 0 0 |
|
O2 .06154 .12308 .48301 .0165 .0165 .0128 .0147 .0006 -.0006 |
|
OH3 .27060 .13530 .51146 .0104 .0104 .0067 .0019 -.0009 .0009 |
|
O4 .09278 .18556 .06907 .0054 .0054 .0086 -.0007 -.0006 .0006 |
|
O5 .18566 .09283 .09037 .0058 .0058 .0086 -.0002 -.0005 .0005 |
|
O6 .19772 .18787 .77785 .0080 .0083 .0049 .0041 .0002 -.0007 |
|
O7 .28462 .28518 .07966 .0054 .0045 .0077 .0010 -.0011 -.0011 |
|
O8 .20985 .27048 .44247 .0042 .0094 .0112 .0035 .0012 .0027 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Peterson R C, Locock A J, Luth R W |
|
The Canadian Mineralogist 33 (1995) 627-631 |
|
Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
|
Sample: model 1 |
|
_database_code_amcsd 0005430 |
|
12.157 12.157 12.157 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiZ .375 0 .25 .78 .014 .011 .011 0 0 0 |
|
FeZ .375 0 .25 .22 .014 .011 .011 0 0 0 |
|
TiY 0 0 0 .53 .0070 .0070 .0070 .001 .001 .001 |
|
FeY 0 0 0 .35 .0070 .0070 .0070 .001 .001 .001 |
|
AlY 0 0 0 .07 .0070 .0070 .0070 .001 .001 .001 |
|
ZrY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
|
MgY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
|
MnY 0 0 0 .01 .0070 .0070 .0070 .001 .001 .001 |
|
CaX .125 0 .25 .96 .003 .008 .008 0 0 .006 |
|
MgX .125 0 .25 .03 .003 .008 .008 0 0 .006 |
|
NaX .125 0 .25 .01 .003 .008 .008 0 0 .006 |
|
O .0368 .0488 .6528 .016 .006 .012 -.003 .009 -.002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Peterson R C, Locock A J, Luth R W |
|
The Canadian Mineralogist 33 (1995) 627-631 |
|
Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
|
Sample: model 2, split oxygen |
|
_database_code_amcsd 0005431 |
|
12.157 12.157 12.157 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiZ .375 0 .25 .78 .017 .010 .010 0 0 0 |
|
FeZ .375 0 .25 .22 .017 .010 .010 0 0 0 |
|
TiY 0 0 0 .53 .0071 .0071 .0071 .001 .001 .001 |
|
FeY 0 0 0 .35 .0071 .0071 .0071 .001 .001 .001 |
|
AlY 0 0 0 .07 .0071 .0071 .0071 .001 .001 .001 |
|
ZrY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
|
MgY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
|
MnY 0 0 0 .01 .0071 .0071 .0071 .001 .001 .001 |
|
CaX .125 0 .25 .96 .000 .009 .009 0 0 .006 |
|
MgX .125 0 .25 .03 .000 .009 .009 0 0 .006 |
|
NaX .125 0 .25 .01 .000 .009 .009 0 0 .006 |
|
O1 .0406 .0479 .6556 .5 .006 |
|
O2 .521 .448 .360 .5 .006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: TourmalineTM60e |
|
Locality: Bovey Tracy, Devonshire, England |
|
_database_code_amcsd 0007047 |
|
15.9856 15.9856 7.1840 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .22615 .682 |
|
CaX 0 0 .22615 .093 |
|
KX 0 0 .22615 .009 |
|
Fe2+Y .12432 .06216 .63004 .408 |
|
AlY .12432 .06216 .63004 .310 |
|
MgY .12432 .06216 .63004 .153 |
|
Fe3+Y .12432 .06216 .63004 .090 |
|
Ti4+Y .12432 .06216 .63004 .027 |
|
ZnY .12432 .06216 .63004 .005 |
|
Mn2+Y .12432 .06216 .63004 .004 |
|
AlZ .29837 .26172 .61130 .874 |
|
MgZ .29837 .26172 .61130 .086 |
|
Fe2+Z .29837 .26172 .61130 .039 |
|
Fe3+Z .29837 .26172 .61130 .001 |
|
SiT .19179 .18989 0 .979 |
|
AlT .19179 .18989 0 .021 |
|
B .11016 .22032 .45485 |
|
OH1W 0 0 .77957 .443 |
|
O1W 0 0 .77957 .352 |
|
F1W 0 0 .77957 .205 |
|
O2 .06134 .12268 .48358 |
|
OH3V .26782 .13391 .51073 |
|
O4 .09302 .18604 .06911 |
|
O5 .18550 .09275 .09080 |
|
O6 .19708 .18716 .77670 |
|
O7 .28482 .28505 .07962 |
|
O8 .20962 .27036 .44127 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TMl2ap |
|
Locality: Cruziero, Minas Gerais, Brazil |
|
_database_code_amcsd 0007050 |
|
15.9659 15.9659 7.1693 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .2278 .633 |
|
KX 0 0 .2278 .013 |
|
Fe2+Y .12397 .061985 .63021 .500 |
|
AlY .12397 .061985 .63021 .427 |
|
MgY .12397 .061985 .63021 .047 |
|
Ti4+Y .12397 .061985 .63021 .017 |
|
LiY .12397 .061985 .63021 .004 |
|
ZnY .12397 .061985 .63021 .003 |
|
AlZ .29824 .26159 .61062 .884 |
|
MgZ .29824 .26159 .61062 .087 |
|
Fe2+Z .29824 .26159 .61062 .014 |
|
Fe3+Z .29824 .26159 .61062 .014 |
|
SiT .19183 .18984 0 .985 |
|
AlT .19183 .18984 0 .015 |
|
B .11011 .22022 .45451 |
|
OH1W 0 0 .77754 .512 |
|
O1W 0 0 .77754 .311 |
|
F1W 0 0 .77754 .177 |
|
O2 .06144 .12288 .48679 |
|
OH3V .26680 .13340 .50999 |
|
O4 .09336 .18672 .06897 |
|
O5 .18643 .093215 .09130 |
|
O6 .19705 .18667 .77613 |
|
O7 .28512 .28544 .07885 |
|
O8 .20971 .27044 .44066 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TMl2al |
|
Locality: Cruziero, Minas Gerais, Brazil |
|
_database_code_amcsd 0007051 |
|
15.9736 15.9736 7.1644 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .22668 .678 |
|
KX 0 0 .22668 .013 |
|
Fe2+Y .12423 .062115 .62941 .507 |
|
AlY .12423 .062115 .62941 .418 |
|
MgY .12423 .062115 .62941 .028 |
|
Mn2+Y .12423 .062115 .62941 .016 |
|
ZnY .12423 .062115 .62941 .013 |
|
Ti4+Y .12423 .062115 .62941 .010 |
|
LiY .12423 .062115 .62941 .008 |
|
AlZ .29833 .26162 .61077 .897 |
|
MgZ .29833 .26162 .61077 .069 |
|
Fe2+Z .29833 .26162 .61077 .019 |
|
Fe3+Z .29833 .26162 .61077 .015 |
|
SiT .19193 .18995 0 .973 |
|
AlT .19193 .18995 0 .027 |
|
B .11017 .22034 .45467 |
|
OH1W 0 0 .77878 .538 |
|
O1W 0 0 .77878 .283 |
|
F1W 0 0 .77878 .178 |
|
O2 .06149 .12298 .48599 |
|
OH3V .26753 .133765 .50982 |
|
O4 .09333 .18666 .06922 |
|
O5 .18660 .09330 .09133 |
|
O6 .19735 .18704 .77584 |
|
O7 .28527 .28559 .07921 |
|
O8 .20979 .27061 .44070 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TM9914b |
|
Locality: Lake Baikal, Siberia |
|
_database_code_amcsd 0007056 |
|
15.9821 15.9821 7.2215 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .23234 .731 |
|
CaX 0 0 .23234 .163 |
|
KX 0 0 .23234 .005 |
|
Fe2+Y .12401 .062005 .63406 .286 |
|
AlY .12401 .062005 .63406 .277 |
|
MgY .12401 .062005 .63406 .240 |
|
Fe3+Y .12401 .062005 .63406 .146 |
|
Ti4+Y .12401 .062005 .63406 .030 |
|
V3+Y .12401 .062005 .63406 .015 |
|
ZnY .12401 .062005 .63406 .003 |
|
Cr3+Y .12401 .062005 .63406 .001 |
|
Mn2+Y .12401 .062005 .63406 .001 |
|
AlZ .29844 .26187 .61212 .814 |
|
MgZ .29844 .26187 .61212 .168 |
|
Fe3+Z .29844 .26187 .61212 .018 |
|
SiT .19178 .18992 0 .985 |
|
AlT .19178 .18992 0 .015 |
|
B .11016 .22032 .45471 |
|
OH1W 0 0 .77623 .509 |
|
O1W 0 0 .77623 .449 |
|
F1W 0 0 .77623 .042 |
|
O2 .06099 .12198 .48286 |
|
OH3V .26648 .13324 .51198 |
|
O4 .09266 .18532 .06979 |
|
O5 .18376 .09188 .09075 |
|
O6 .19641 .18664 .77815 |
|
O7 .28456 .28446 .08000 |
|
O8 .20933 .27003 .44199 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Ertl A, Schuster R, Hughes J M, Ludwig T, Meyer H-P, |
|
Finger F, Dyar M D, Ruschel K, Rossman G R, Klotzli U, |
|
Brandstatter F, Lengauer C L, Tillmanns E |
| |
European Journal of Mineralogy 24 (2012) 695-715 |
|
Li-bearing tourmalines in Variscan granitic pegmatites |
|
from the Moldanubian nappes, Lower Austria |
|
Note: Sample MASR |
|
Locality: Maigen, Moldanubian nappes, Lower Austria |
|
_database_code_amcsd 0019401 |
|
15.9783 15.9783 7.1507 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .7500 .61 .0277 |
|
CaX 0 0 .7500 .01 .0277 |
|
KX 0 0 .7500 .01 .0277 |
|
Fe2+Y .12436 -.06218 .34676 .493 .0105 |
|
AlY .12436 -.06218 .34676 .297 .0105 |
|
MgY .12436 -.06218 .34676 .043 .0105 |
|
Ti4+Y .12436 -.06218 .34676 .040 .0105 |
|
Mn2+Y .12436 -.06218 .34676 .037 .0105 |
|
Fe3+Y .12436 -.06218 .34676 .017 .0105 |
|
ZnY .12436 -.06218 .34676 .013 .0105 |
|
LiY .12436 -.06218 .34676 .010 .0105 |
|
AlZ .29837 .26159 .36438 .957 .0076 |
|
Fe3+Z .29837 .26159 .36438 .033 .0076 |
|
MgZ .29837 .26159 .36438 .010 .0076 |
|
SiT .19190 .18991 .02552 .942 .00700 |
|
AlT .19190 .18991 .02552 .058 .00700 |
|
B .11018 .22036 .4798 .0091 |
|
OH1 0 0 .1948 .74 .0332 |
|
F1 0 0 .1948 .26 .0332 |
|
O2 .06174 -.12348 .5119 .0174 |
|
O3 .2675 -.13375 .4656 .0142 |
|
H3 .268 .134 .584 .06 |
|
O4 .09342 -.18684 .0939 .0120 |
|
O5 .1875 .09375 .1170 .0121 |
|
O6 .19775 .1873 .1995 .0105 |
|
O7 .28539 .28590 .1043 .0097 |
|
O8 .20985 .27070 .4656 .0113 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
| |
Physics and Chemistry of Minerals 32 (2005) 277-289 |
|
Schorlomite: a discussion of the crystal chemistry, formula, |
|
and inter-species boundaries |
|
Garnet |
|
Sample: Afrikanda, Kola Peninsula, Russia |
|
_database_code_amcsd 0008963 |
|
12.1464 12.1464 12.1464 90 90 90 Ia3d |
|
atom x y z occ Uiso |
|
CaX .125 0 .25 .9663 .0110 |
|
Fe2+X .125 0 .25 .0193 .0110 |
|
NaX .125 0 .25 .0077 .0110 |
|
MnX .125 0 .25 .0067 .0110 |
|
Ti4+Y 0 0 0 .4795 .0074 |
|
Fe3+Y 0 0 0 .278 .0074 |
|
Fe2+Y 0 0 0 .0985 .0074 |
|
MgY 0 0 0 .078 .0074 |
|
ZrY 0 0 0 .040 .0074 |
|
AlY 0 0 0 .0245 .0074 |
|
NbY 0 0 0 .0015 .0074 |
|
SiZ .375 0 .25 .7673 .0077 |
|
Fe3+Z .375 0 .25 .1657 .0077 |
|
AlZ .375 0 .25 .057 .0077 |
|
HZ .375 0 .25 .0397 .0077 |
|
O .0373 .0483 .65348 .0122 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
| |
Physics and Chemistry of Minerals 32 (2005) 277-289 |
|
Schorlomite: a discussion of the crystal chemistry, formula, |
|
and inter-species boundaries |
|
Garnet |
|
Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas |
|
_database_code_amcsd 0008964 |
|
12.1524 12.1524 12.1524 90 90 90 Ia3d |
|
atom x y z occ Uiso |
|
CaX .125 0 .25 .9717 .0097 |
|
Fe2+X .125 0 .25 .0103 .0097 |
|
NaX .125 0 .25 .0067 .0097 |
|
MnX .125 0 .25 .0113 .0097 |
|
Ti4+Y 0 0 0 .527 .0059 |
|
Fe3+Y 0 0 0 .265 .0059 |
|
Fe2+Y 0 0 0 .100 .0059 |
|
MgY 0 0 0 .079 .0059 |
|
ZrY 0 0 0 .028 .0059 |
|
NbY 0 0 0 .001 .0059 |
|
SiZ .375 0 .25 .7543 .0060 |
|
Fe3+Z .375 0 .25 .1933 .0060 |
|
AlZ .375 0 .25 .0523 .0060 |
|
O .03706 .04822 .65335 .0112 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Grice J D, Ercit T S |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
|
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
|
Sample: Schorl 2672 |
|
Locality: Silver Crater, Hastings Co., Ontario, Canada |
|
_database_code_amcsd 0018784 |
|
16.073 16.073 7.306 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2301 .99 .0267 |
|
CaX 0 0 .2301 .01 .0267 |
|
Fe2Y .12356 .06178 .63534 .756 .0090 |
|
MgY .12356 .06178 .63534 .237 .0090 |
|
VY .12356 .06178 .63534 .007 .0090 |
|
AlZ .29853 .26198 .61195 .57 .0061 |
|
Fe3Z .29853 .26198 .61195 .26 .0061 |
|
MgZ .29853 .26198 .61195 .093 .0061 |
|
TiZ .29853 .26198 .61195 .067 .0061 |
|
SiT .19081 .18917 0 .0064 |
|
B .1101 .2202 .4554 .0092 |
|
O1 0 0 .7800 .0202 |
|
O2 .06145 .1229 .4844 .0108 |
|
O3 .2658 .13290 .5122 .0138 |
|
O4 .09252 .18504 .0686 .0113 |
|
O5 .18348 .09174 .0875 .0110 |
|
O6 .19557 .1864 .7806 .0101 |
|
O7 .28323 .28328 .0783 .0109 |
|
O8 .20850 .2696 .4422 .0124 |
|
H1 0 0 .655 .6 .01 |
|
H3 .254 .127 .416 .01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorl |
|
Grice J D, Ercit T S |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
|
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
|
Sample: Schorl CROSS |
|
Locality: Cross Lake, Manitoba, Canada |
|
_database_code_amcsd 0018786 |
|
15.972 15.972 7.160 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2257 .49 .0298 |
|
Fe2Y .12304 .06152 .6299 .626 .0096 |
|
AlY .12304 .06152 .6299 .207 .0096 |
|
LiY .12304 .06152 .6299 .03 .0096 |
|
MgY .12304 .06152 .6299 .057 .0096 |
|
MnY .12304 .06152 .6299 .027 .0096 |
|
ZnY .12304 .06152 .6299 .053 .0096 |
|
AlZ .29827 .26162 .6105 .962 .0054 |
|
FeZ .29827 .26162 .6105 .038 .0054 |
|
SiT .19178 .18989 0 .983 .0049 |
|
BT .19178 .18989 0 .017 .0049 |
|
B .1102 .2204 .4538 .0082 |
|
OH1 0 0 .7809 .65 .0328 |
|
O1 0 0 .7809 .35 .0328 |
|
O2 .06181 .12362 .4840 .0142 |
|
O3 .2682 .1341 .5109 .0121 |
|
O4 .09328 .18656 .0682 .0092 |
|
O5 .18662 .09331 .0901 .0092 |
|
O6 .1977 .1876 .7759 .0086 |
|
O7 .2850 .2854 .0785 .0081 |
|
O8 .2098 .2707 .4408 .0095 |
|
H3 .264 .132 .416 .01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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