|
Olenite |
 |
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A |
 |
American Mineralogist 88 (2003) 1369-1376 |
|
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and |
|
relations to synthetic solid solutions |
|
Note: This sample may be named wrong |
|
Sample BT |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003156 |
|
15.9466 15.9466 7.1384 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .693 .0276 |
|
CaX 0 0 .25 .011 .0276 |
|
KX 0 0 .25 .002 .0276 |
|
AlY .12442 .06221 -.3585 .412 .0113 |
|
Mn2Y .12442 .06221 -.3585 .411 .0113 |
|
Fe2Y .12442 .06221 -.3585 .007 .0113 |
|
LiY .12442 .06221 -.3585 .126 .0113 |
|
AlZ .29797 .26132 -.3702 .0065 |
|
SiT .19196 .19011 .0178 .988 .00540 |
|
AlT .19196 .19011 .0178 .012 .00540 |
|
B .11005 .2201 .4707 .0103 |
|
O1 0 0 -.2007 .32 .046 |
|
F1 0 0 -.2007 .48 .046 |
|
OH1 0 0 -.2007 .25 .046 |
|
O2 .06171 .1234 .4976 .0226 |
|
O3 .2689 .13446 -.4716 .0121 |
|
O4 .09324 .1865 .0884 .0106 |
|
O5 .1874 .09368 .1111 .0097 |
|
O6 .19796 .18771 -.2072 .0093 |
|
O7 .28540 .28610 .0985 .0074 |
|
O8 .21028 .2711 .4591 .0099 |
|
H3 .268 .134 .439 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A |
|
American Mineralogist 88 (2003) 1369-1376 |
|
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and |
|
relations to synthetic solid solutions |
|
Note: This sample may be named wrong |
|
Sample P6 |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003157 |
|
15.941 15.941 7.136 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .773 .0275 |
|
CaX 0 0 .25 .032 .0275 |
|
KX 0 0 .25 .004 .0275 |
|
AlY .12450 .06225 -.3575 .411 .0123 |
|
Mn2Y .12450 .06225 -.3575 .381 .0123 |
|
Fe2Y .12450 .06225 -.3575 .006 .0123 |
|
LiY .12450 .06225 -.3575 .161 .0123 |
|
TiY .12450 .06225 -.3575 .002 .0123 |
|
AlZ .29808 .26132 -.3695 .00786 |
|
SiT .19192 .19000 .0188 .971 .00680 |
|
AlT .19192 .19000 .0188 .029 .00680 |
|
B .11015 .2203 .4734 .0092 |
|
O1 0 0 -.2000 .19 .0487 |
|
OH1 0 0 -.2000 .33 .0487 |
|
F1 0 0 -.2000 .48 .0487 |
|
O2 .06142 .12284 .5004 .0231 |
|
O3 .2687 .13434 -.4710 .0129 |
|
O4 .09329 .18658 .0887 .0108 |
|
O5 .18716 .09358 .1110 .0111 |
|
O6 .19761 .18748 -.2059 .0101 |
|
O7 .28546 .28588 .0990 .0088 |
|
O8 .21016 .27115 .4602 .0109 |
|
H3 .271 .1355 .418 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rossmanite |
| |
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
|
American Mineralogist 90 (2005) 481-487 |
|
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
|
Austria: Structure, chemistry, and infrared and optical spectroscopic study |
|
Sample: REDT1 |
|
Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 |
|
(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] |
|
Tourmaline |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003738 |
|
15.8031 15.8031 7.0877 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0275 |
|
CaX 0 0 .25 .01 .0275 |
|
AlY .12146 .06073 -.3362 .790 .00814 |
|
LiY .12146 .06073 -.3362 .110 .00814 |
|
Mn2Y .12146 .06073 -.3362 .083 .00814 |
|
Fe2Y .12146 .06073 -.3362 .013 .00814 |
|
Ti4Y .12146 .06073 -.3362 .003 .00814 |
|
AlZ .29651 .25999 -.3643 .00762 |
|
SiT .19154 .18958 .0303 .912 .00598 |
|
BT .19154 .18958 .0303 .042 .00598 |
|
AlT .19154 .18958 .0303 .047 .00598 |
|
B .10956 .21912 .4803 .0077 |
|
O1 0 0 -.2052 .86 .0149 |
|
OH1 0 0 -.2052 .10 .0149 |
|
F1 0 0 -.2052 .04 .0149 |
|
O2 .06065 .12131 .5205 .0130 |
|
O3 .25787 .12893 -.4636 .0126 |
|
O4 .09524 .19049 .1043 .0124 |
|
O5 .18806 .09403 .1258 .0127 |
|
O6 .19340 .18302 -.1974 .00945 |
|
O7 .28717 .28662 .1044 .00906 |
|
O8 .20959 .27052 .4649 .00910 |
|
H3 .251 .1256 .423 .95 .053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rossmanite |
| |
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
|
American Mineralogist 90 (2005) 481-487 |
|
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
|
Austria: Structure, chemistry, and infrared and optical spectroscopic study |
|
Sample: REDT4 |
|
Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 |
|
(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] |
|
Tourmaline |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003739 |
|
15.8171 15.8171 7.0935 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0278 |
|
CaX 0 0 .25 .01 .0278 |
|
AlY .12150 .06075 -.3364 .783 .0087 |
|
LiY .12150 .06075 -.3364 .107 .0087 |
|
Mn2Y .12150 .06075 -.3364 .093 .0087 |
|
Fe2Y .12150 .06075 -.3364 .013 .0087 |
|
Ti4Y .12150 .06075 -.3364 .004 .0087 |
|
AlZ .29652 .26001 -.3646 .00795 |
|
SiT .19152 .18960 .0302 .918 .00585 |
|
AlT .19152 .18960 .0302 .042 .00585 |
|
BT .19152 .18960 .0302 .040 .00585 |
|
B .10969 .21937 .4801 .0084 |
|
O1 0 0 -.2049 .86 .0148 |
|
OH1 0 0 -.2049 .10 .0148 |
|
F1 0 0 -.2049 .04 .0148 |
|
O2 .06064 .12128 .5202 .0134 |
|
O3 .25794 .12897 -.4638 .0128 |
|
O4 .09530 .19060 .1038 .0133 |
|
O5 .18804 .09402 .1252 .0138 |
|
O6 .19336 .18311 -.1976 .0101 |
|
O7 .28715 .28675 .1038 .0093 |
|
O8 .20954 .27049 .4646 .0098 |
|
H3 .246 .1231 .415 .933 .054 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID3NEW |
|
_database_code_amcsd 0004246 |
|
15.8322 15.8322 7.1034 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .75 .57 .0069 |
|
NaX 0 0 .75 .29 .0069 |
|
AlY -.12340 -.06170 .3518 .47 .0104 |
|
LiY -.12340 -.06170 .3518 .44 .0104 |
|
Mn2+Y -.12340 -.06170 .3518 .02 .0104 |
|
AlZ -.29675 -.25965 .37670 .00810 |
|
SiT -.19203 -.19009 -.01194 .98 .00557 |
|
BT -.19203 -.19009 -.01194 .02 .00557 |
|
B -.10891 -.21782 -.4668 .0082 |
|
F1W 0 0 .2026 .76 .0365 |
|
O1W 0 0 .2026 .24 .0365 |
|
O2 -.05989 -.11978 -.4938 .0191 |
|
O3V -.26830 -.13415 .4783 .0129 |
|
O4 -.09253 -.18506 -.0866 .0106 |
|
O5 -.18439 -.092145 -.1081 .0109 |
|
O6 -.19564 -.18583 .2123 .0097 |
|
O7 -.28612 -.28547 -.09272 .00845 |
|
O8 -.20964 -.27022 -.4530 .0098 |
|
H1W -.0552 -.0276 .151 .08 .000 |
|
H3V -.267 -.1335 -.419 .041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID6A1 |
|
_database_code_amcsd 0004247 |
|
15.8204 15.8204 7.0955 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .50 .0093 |
|
NaX 0 0 .25 .34 .0093 |
|
AlY .12266 .06133 -.3470 .52 .0104 |
|
LiY .12266 .06133 -.3470 .38 .0104 |
|
Fe2+Y .12266 .06133 -.3470 .02 .0104 |
|
Mn2+Y .12266 .06133 -.3470 .01 .0104 |
|
AlZ .29675 .25979 -.37409 .00827 |
|
SiT .19196 .19000 .01538 .96 .00611 |
|
BT .19196 .19000 .01538 .04 .00611 |
|
B .10895 .21790 .4698 .0082 |
|
F1W 0 0 -.2009 .56 .0325 |
|
O1W 0 0 -.2009 .44 .0325 |
|
O2 .05996 .11992 .4991 .0188 |
|
O3V .26689 .133445 -.4759 .0138 |
|
O4 .09279 .18558 .0900 .0112 |
|
O5 .18494 .09247 .1115 .0117 |
|
O6 .19538 .18539 -.2093 .00974 |
|
O7 .28627 .28561 .09517 .00873 |
|
O8 .20955 .27011 .45548 .00982 |
|
H1W .0538 .0269 -.145 .147 .000 |
|
H3V .263 .1315 .413 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID52 |
|
_database_code_amcsd 0004248 |
|
15.8119 15.8119 7.0925 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .41 .0110 |
|
NaX 0 0 .25 .41 .0110 |
|
AlY .12240 .06120 -.34536 .54 .0102 |
|
LiY .12240 .06120 -.34536 .36 .0102 |
|
Mn2+Y .12240 .06120 -.34536 .01 .0102 |
|
Fe2+Y .12240 .06120 -.34536 .01 .0102 |
|
AlZ .29674 .25991 -.37294 .00815 |
|
SiT .19188 .18990 .01696 .95 .00605 |
|
BT .19188 .18990 .01696 .05 .00605 |
|
B .10895 .21790 .4713 .0083 |
|
F1W 0 0 -.2006 .51 .0303 |
|
O1W 0 0 -.2006 .49 .0303 |
|
O2 .05999 .11998 .5022 .0183 |
|
O3V .26596 .13298 -.4746 .0138 |
|
O4 .09304 .18608 .0913 .0113 |
|
O5 .18534 .09267 .1129 .0118 |
|
O6 .19522 .18508 -.20791 .00971 |
|
O7 .28630 .28569 .09613 .00872 |
|
O8 .20954 .27009 .45660 .00976 |
|
H1W .0543 .02715 -.146 .163 .000 |
|
H3V .263 .1315 .418 .052 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Elbaite |
|
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LC1 |
|
_database_code_amcsd 0004249 |
|
15.8095 15.8095 7.0941 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0138 |
|
CaX 0 0 .25 .30 .0138 |
|
AlY .12250 .06125 -.3432 .61 .0099 |
|
LiY .12250 .06125 -.3432 .30 .0099 |
|
AlZ .29678 .26009 -.37143 .00846 |
|
SiT .19165 .18970 .01911 .93 .00651 |
|
BT .19165 .18970 .01911 .07 .00651 |
|
B .10909 .21818 .4732 .0083 |
|
F1W 0 0 -.2009 .50 .0275 |
|
O1W 0 0 -.2009 .50 .0275 |
|
O2 .06001 .12002 .5064 .0173 |
|
O3V .26455 .132275 -.4729 .0146 |
|
O4 .09329 .18658 .0932 .0118 |
|
O5 .18584 .09292 .1146 .0122 |
|
O6 .19487 .18469 -.2058 .00993 |
|
O7 .28619 .28565 .0973 .00912 |
|
O8 .20959 .27011 .4580 .00986 |
|
H1W .0529 .02645 -.140.167 .000 |
|
H3V .262 .131 .423 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J |
|
The Canadian Mineralogist 42 (2004) 1057-1063 |
|
Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria: |
|
Structural, chemical, and Mossbauer data |
|
Locality: Eibenstein, Austria |
|
_database_code_amcsd 0005974 |
|
15.938 15.938 7.136 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 .7798 .52 .0276 .0276 .0248 .0138 0 0 |
|
CaX 0 0 .7798 .01 .0276 .0276 .0248 .0138 0 0 |
|
AlY .72829 .45658 .7055 .54 .0085 .0108 .0172 .0054 .0016 .0032 |
|
FeY2+ .72829 .45658 .7055 .276 .0085 .0108 .0172 .0054 .0016 .0032 |
|
MnY2+ .72829 .45658 .7055 .14 .0085 .0108 .0172 .0054 .0016 .0032 |
|
LiY .72829 .45658 .7055 .016 .0085 .0108 .0172 .0054 .0016 .0032 |
|
TiY4+ .72829 .45658 .7055 .01 .0085 .0108 .0172 .0054 .0016 .0032 |
|
AlZ .70225 .73887 .3913 .978 .0082 .0089 .0084 .0043 .0000 .0007 |
|
MgZ .70225 .73887 .3913 .022 .0082 .0089 .0084 .0043 .0000 .0007 |
|
SiT .80812 .81014 0 .955 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
AlT .80812 .81014 0 .028 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
FeT3+ .80812 .81014 0 .017 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
B .88999 .77998 .5474 .0094 .0093 .0108 .00465 .00025 .0005 |
|
O 0 0 .2269 .86 .0429 .0429 .0130 .02145 0 0 |
|
F 0 0 .2269 .14 .0429 .0429 .0130 .02145 0 0 |
|
O1 .93851 .87703 .5124 .0292 .0084 .0156 .0042 .00005 .0001 |
|
O2 .90588 .81175 .9301 .0102 .0175 .0138 .00875 -.00075 -.0015 |
|
O3 .79936 .59872 .8258 .0143 .0295 .0099 .01475 .0002 .0004 |
|
O4 .42739 .85479 .5743 .0108 .0184 .0134 .0092 -.0003 -.0006 |
|
O5 .80330 .81389 .2260 .0120 .0134 .0088 .0062 .0001 -.0004 |
|
O6 .71398 .71363 .9226 .0091 .0092 .0102 .0030 -.0001 -.0013 |
|
O7 .79027 .72932 .5615 .0086 .0136 .0126 .0060 .0011 .0032 |
|
H .793 .585 .961 .32 .0306 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Schreyer W, Hughes J M, Bernhardt H J, Kalt A, Prowatke S, Ertl A |
| |
European Journal of Mineralogy 14 (2002) 935-942 |
|
Reexamination of olenite from the type locality: detection of boron |
|
in tetrahedral coordination |
|
Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 |
|
Locality: Olenii Range, Kola Peninsula, Russia |
|
_database_code_amcsd 0006949 |
|
15.792 15.792 7.0878 90 90 120 R3m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .25 .541 1.81 .0240 .0240 .021 .012 0 0 |
|
CaX 0 0 .25 .023 1.81 .0240 .0240 .021 .012 0 0 |
|
AlY .27260 .54520 .3260 .691 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
LiY .27260 .54520 .3260 .210 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
MnY .27260 .54520 .3260 .029 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
FeY .27260 .54520 .3260 .014 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
AlZ .29652 .25998 .63031 .612 .0073 .0090 .0069 .00407 .0007 -.0002 |
|
SiT .19171 .18969 .02370 .909 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
BT .19171 .18969 .02370 .067 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
AlT .19171 .18969 .02370 .024 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
B .10907 .21814 .4752 .66 .0091 .0104 .0061 .0052 -.0001 -.0002 |
|
OH1 0 0 .7940 .832 1.55 .0232 .0232 .012 .0116 0 0 |
|
F1 0 0 .7940 .161 1.55 .0232 .0232 .012 .0116 0 0 |
|
O1 0 0 .7940 .006 1.55 .0232 .0232 .012 .0116 0 0 |
|
Cl1 0 0 .7940 .001 1.55 .0232 .0232 .012 .0116 0 0 |
|
O2 .06031 .12062 .5141 1.13 .0178 .0081 .0138 .00405 .0002 .0004 |
|
O3 .2605 .13025 .5298 1.08 .0244 .0130 .0075 .0122 -.0007 -.00035 |
|
O4 .09467 .18934 .0966 .95 .0106 .0170 .0107 .0085 -.0007 -.0014 |
|
O5 .1874 .0937 .1186 1.00 .0183 .0109 .0114 .00915 .0006 .0003 |
|
O6 .19402 .18334 .7960 .77 .0100 .0099 .0081 .0041 .0006 .0000 |
|
O7 .28704 .28646 .0985 .71 .0089 .0084 .0077 .0029 .0003 -.0012 |
|
O8 .20938 .27003 .4592 .76 .0076 .0111 .0102 .0046 .0003 .0023 |
|
H3 .205 .410 .085 -.24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Schuster R, Prowatke S, Brandstatter F, Ludwig T, Bernhardt H J, Koller F, Hughes J M |
| |
European Journal of Mineralogy 16 (2004) 551-560 |
|
Mn-rich tourmaline and fluorapatite in a Variscan pegmatite |
|
from Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
Locality: Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
_database_code_amcsd 0007078 |
|
15.9158 15.9158 7.1201 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .84 .0276 |
|
CaX 0 0 .25 .03 .0276 |
|
KX 0 0 .25 .01 .0276 |
|
AlY .12372 .06186 -.3537 .48 .0113 |
|
Mn2+Y .12372 .06186 -.3537 .31 .0113 |
|
LiY .12372 .06186 -.3537 .18 .0113 |
|
Fe2+Y .12372 .06186 -.3537 .02 .0113 |
|
TiY .12372 .06186 -.3537 .01 .0113 |
|
AlZ .29774 .26107 -.3694 .00761 |
|
SiT .19196 .19001 .0196 .96 .00663 |
|
AlT .19196 .19001 .0196 .04 .00663 |
|
B .10984 .21968 .4736 .0082 |
|
F1 0 0 -.2003 .54 .0430 |
|
OH1 0 0 -.2003 .37 .0430 |
|
O1 0 0 -.2003 .09 .0430 |
|
O2 .06110 .12220 .5022 .0213 |
|
O3V .26752 .13376 -.4715 .0128 |
|
O4 .09337 .18674 .0906 .0106 |
|
O5 .18708 .09354 .1130 .0114 |
|
O6 .19707 .18690 -.2057 .0098 |
|
O7 .28589 .28612 .0993 .0083 |
|
O8 .20995 .27077 .4601 .0101 |
|
H3V .267 .1335 .416 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
|
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
|
and infra-red spectroscopy |
|
Sample: DUM1 |
|
Locality: Gfohl unit, Lower Austria |
|
_database_code_amcsd 0007091 |
|
4.6900 11.7875 20.1823 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
AlM1 .6024 .75 .74985 .78 .0271 |
|
MgM1 .6024 .75 .74985 .09 .0271 |
|
TiM1 .6024 .75 .74985 .01 .0271 |
|
AlM2 .05807 .11044 .472510 .93 .00578 |
|
TiM2 .05807 .11044 .472510 .03 .00578 |
|
AlM3 .44028 .00893 .568913 .94 .00587 |
|
FeM3 .44028 .00893 .568913 .02 .00587 |
|
AlM4 .44231 .14142 .711001 .98 .00753 |
|
SiT1 .58715 .25 .40541 .85 .00717 |
|
AlT1 .58715 .25 .40541 .15 .00717 |
|
SiT2 .91289 -.02418 .671678 .995 .00710 |
|
AlT2 .91289 -.02418 .671678 .005 .00710 |
|
B .2749 .25 .58386 .0088 |
|
O1 .8769 .25 .45419 .0102 |
|
O2 .3375 .25 .64938 .723 .0110 |
|
OH2 .3375 .25 .64938 .27 .0110 |
|
F2 .3375 .25 .64938 .007 .0110 |
|
O3 .39605 .13933 .42443 .00916 |
|
O4 .09935 .06414 .71730 .00947 |
|
O5 .10440 -.05002 .60651 .00905 |
|
O6 .61931 .04612 .64971 .01037 |
|
O7 .8507 -.13869 .71307 .723 .01500 |
|
OH7 .8507 -.13869 .71307 .27 .01500 |
|
F7 .8507 -.13869 .71307 .007 .01500 |
|
O8 .6511 .25 .32635 .0151 |
|
O9 .24556 .14885 .55201 .00975 |
|
O10 .7387 .25 .72778 .0112 |
|
O11 .74983 .03358 .51196 .00821 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
|
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
|
and infra-red spectroscopy |
|
Sample: DUM2 |
|
Locality: Gfohl unit, Lower Austria |
|
_database_code_amcsd 0007092 |
|
4.6948 11.8037 20.2106 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
AlM1 .6045 .75 .74985 .74 .0277 |
|
MgM1 .6045 .75 .74985 .12 .0277 |
|
TiM1 .6045 .75 .74985 .01 .0277 |
|
AlM2 .05808 .11043 .472535 .94 .00568 |
|
TiM2 .05808 .11043 .472535 .01 .00568 |
|
FeM2 .05808 .11043 .472535 .01 .00568 |
|
AlM3 .44026 .00893 .568892 .93 .00550 |
|
TiM3 .44026 .00893 .568892 .03 .00550 |
|
AlM4 .44214 .14144 .710922 .98 .00741 |
|
SiT1 .58718 .25 .40559 .85 .00695 |
|
AlT1 .58718 .25 .40559 .15 .00695 |
|
SiT2 .91298 -.02388 .671550 .99 .00683 |
|
AlT2 .91298 -.02388 .671550 .01 .00683 |
|
B .2749 .25 .58384 .0082 |
|
O1 .8767 .25 .45429 .0099 |
|
O2 .3365 .25 .64939 .714 .0108 |
|
OH2 .3365 .25 .64939 .283 .0108 |
|
F2 .3365 .25 .64939 .003 .0108 |
|
O3 .39593 .13930 .42450 .00874 |
|
O4 .09924 .06427 .71729 .00903 |
|
O5 .10440 -.04995 .60648 .00875 |
|
O6 .61918 .04632 .64962 .01006 |
|
O7 .8502 -.13825 .71292 .714 .0145 |
|
OH7 .8502 -.13825 .71292 .283 .0145 |
|
F7 .8502 -.13825 .71292 .003 .0145 |
|
O8 .6516 .25 .32667 .0146 |
|
O9 .24548 .14892 .55200 .00951 |
|
O10 .7385 .25 .72775 .0107 |
|
O11 .74984 .03342 .51193 .00764 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
| |
European Journal of Mineralogy 18 (2006) 583-588 |
|
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
|
structure and chemistry |
|
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
|
_database_code_amcsd 0007165 |
|
15.997 15.997 7.179 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2295 .78 .0243 |
|
KX 0 0 .2295 .01 .0243 |
|
Fe2+Y .12643 .063214 .62633 .63 .00763 |
|
AlY .12643 .063214 .62633 .19 .00763 |
|
Fe3+Y .12643 .063214 .62633 .04 .00763 |
|
Mn2+Y .12643 .063214 .62633 .04 .00763 |
|
Ti4+Y .12643 .063214 .62633 .01 .00763 |
|
MgY .12643 .063214 .62633 .01 .00763 |
|
ZnY .12643 .063214 .62633 .01 .00763 |
|
AlZ .29899 .26186 .61246 .96 .00545 |
|
FeZ .29899 .26186 .61246 .04 .00545 |
|
SiT .19174 .18983 .00079 .98 .00480 |
|
AlT .19174 .18983 .00079 .02 .00480 |
|
B .11013 .22027 .4567 .0066 |
|
O2 .06163 .12325 .48601 .0146 |
|
Oh3V .26992 .13496 .51180 .0125 |
|
FW 0 0 .7848 .76 .0408 |
|
OHW 0 0 .7848 .24 .0408 |
|
O4 .09295 .18590 .06917 .0091 |
|
O5 .18634 .09317 .09123 .00924 |
|
O6 .19797 .18804 .77760 .00828 |
|
O7 .28469 .28525 .08089 .00796 |
|
O8 .20979 .27035 .44298 .00962 |
|
H .255 .1276 .385 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
| |
European Journal of Mineralogy 18 (2006) 583-588 |
|
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
|
structure and chemistry |
|
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
|
_database_code_amcsd 0007165 |
|
15.997 15.997 7.179 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2295 .78 .0243 |
|
KX 0 0 .2295 .01 .0243 |
|
Fe2+Y .12643 .063214 .62633 .63 .00763 |
|
AlY .12643 .063214 .62633 .19 .00763 |
|
Fe3+Y .12643 .063214 .62633 .04 .00763 |
|
Mn2+Y .12643 .063214 .62633 .04 .00763 |
|
Ti4+Y .12643 .063214 .62633 .01 .00763 |
|
MgY .12643 .063214 .62633 .01 .00763 |
|
ZnY .12643 .063214 .62633 .01 .00763 |
|
AlZ .29899 .26186 .61246 .96 .00545 |
|
FeZ .29899 .26186 .61246 .04 .00545 |
|
SiT .19174 .18983 .00079 .98 .00480 |
|
AlT .19174 .18983 .00079 .02 .00480 |
|
B .11013 .22027 .4567 .0066 |
|
O2 .06163 .12325 .48601 .0146 |
|
Oh3V .26992 .13496 .51180 .0125 |
|
FW 0 0 .7848 .76 .0408 |
|
OHW 0 0 .7848 .24 .0408 |
|
O4 .09295 .18590 .06917 .0091 |
|
O5 .18634 .09317 .09123 .00924 |
|
O6 .19797 .18804 .77760 .00828 |
|
O7 .28469 .28525 .08089 .00796 |
|
O8 .20979 .27035 .44298 .00962 |
|
H .255 .1276 .385 .049 |
|
|
| 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.
