|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T1 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003445 |
|
15.7537 15.7537 7.0707 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .408 .0158 |
|
CaX 0 0 .25 .290 .0158 |
|
KX 0 0 .25 .002 .0158 |
|
AlY .12149 .06074 -.32526 .779 .0097 |
|
LiY .12149 .06074 -.32526 .122 .0097 |
|
Fe2Y .12149 .06074 -.32526 .028 .0097 |
|
Mn2Y .12149 .06074 -.32526 .003 .0097 |
|
MgY .12149 .06074 -.32526 .002 .0097 |
|
TiY .12149 .06074 -.32526 .002 .0097 |
|
AlZ .29671 .26049 -.35784 .00898 |
|
SiT .19120 .18935 .03544 .832 .00789 |
|
BT .19120 .18935 .03544 .103 .00789 |
|
AlT .19120 .18935 .03544 .060 .00789 |
|
BeT .19120 .18935 .03544 .006 .00789 |
|
B .10908 .21815 .48617 .0085 |
|
O1 0 0 -.1925 .59 .0159 |
|
OH1 0 0 -.1925 .41 .0159 |
|
O2 .05986 .11972 .5246 .0150 |
|
O3 .25944 .12972 -.4586 .0135 |
|
O4 .09389 .18777 .1101 .0141 |
|
O5 .18588 .09294 .1309 .0147 |
|
O6 .19343 .18312 -.1910 .0099 |
|
O7 .28650 .28584 .1102 .0100 |
|
O8 .20935 .26996 .4710 .0098 |
|
H3 .252 .126 .400 .08 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T2 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003446 |
|
15.7713 15.7713 7.0760 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .48 .0170 |
|
CaX 0 0 .25 .241 .0170 |
|
AlY .12143 .06071 -.32815 .741 .0096 |
|
LiY .12143 .06071 -.32815 .114 .0096 |
|
Fe2Y .12143 .06071 -.32815 .063 .0096 |
|
MgY .12143 .06071 -.32815 .003 .0096 |
|
TiY .12143 .06071 -.32815 .003 .0096 |
|
Mn2Y .12143 .06071 -.32815 .002 .0096 |
|
AlZ .29674 .26042 -.35941 .00881 |
|
SiT .19136 .18949 .03338 .855 .00754 |
|
AlT .19136 .18949 .03338 .049 .00754 |
|
BeT .19136 .18949 .03338 .005 .00754 |
|
BT .19136 .18949 .03338 .090 .00754 |
|
B .10914 .21828 .48456 .0084 |
|
O1 0 0 -.1938 .68 .0180 |
|
OH1 0 0 -.1938 .32 .0180 |
|
O2 .06000 .12000 .5217 .0161 |
|
O3 .26057 .13029 -.4602 .0141 |
|
O4 .09384 .18767 .1077 .0136 |
|
O5 .18598 .09299 .1287 .0141 |
|
O6 .19389 .18359 -.1930 .0100 |
|
O7 .28653 .28595 .1089 .0098 |
|
O8 .20938 .27000 .4696 .0098 |
|
H3 .256 .128 .411 .07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T3 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003447 |
|
15.7959 15.7959 7.0815 90 90 120 R3m |
|
atom x y z occ Uiso |
|
Na 0 0 .75 .478 .0170 |
|
Ca 0 0 .75 .252 .0170 |
|
AlY .87871 .93935 .32912 .705 .0099 |
|
Fe2Y .87871 .93935 .32912 .112 .0099 |
|
LiY .87871 .93935 .32912 .091 .0099 |
|
Mn2Y .87871 .93935 .32912 .005 .0099 |
|
MgY .87871 .93935 .32912 .004 .0099 |
|
TiY .87871 .93935 .32912 .003 .0099 |
|
AlZ .70312 .73953 .35947 .00886 |
|
SiT .80847 .81037 .96712 .874 .00762 |
|
AlT .80847 .81037 .96712 .042 .00762 |
|
BeT .80847 .81037 .96712 .005 .00762 |
|
BT .80847 .81037 .96712 .080 .00762 |
|
B .89084 .78168 .51582 .0088 |
|
O1 0 0 .1927 .69 .0210 |
|
OH1 0 0 .1927 .31 .0210 |
|
O2 .93984 .87969 .4796 .0170 |
|
O3 .73834 .86917 .4604 .0145 |
|
O4 .90624 .81248 .8933 .0137 |
|
O5 .81398 .90699 .8719 .0143 |
|
O6 .80548 .81585 .1934 .0105 |
|
O7 .71346 .71399 .8910 .0101 |
|
O8 .79066 .72996 .5304 .0102 |
|
H3 .742 .871 .591 .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) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T4 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003448 |
|
15.8472 15.8472 7.0988 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .545 .0178 |
|
CaX 0 0 .25 .245 .0178 |
|
AlY .12142 .06071 -.33189 .597 .0098 |
|
Fe2Y .12142 .06071 -.33189 .223 .0098 |
|
LiY .12142 .06071 -.33189 .075 .0098 |
|
MgY .12142 .06071 -.33189 .013 .0098 |
|
Mn2Y .12142 .06071 -.33189 .007 .0098 |
|
TiY .12142 .06071 -.33189 .004 .0098 |
|
AlZ .29709 .26061 -.36039 .0087 |
|
SiT .19179 .18986 .03137 .892 .0074 |
|
AlT .19179 .18986 .03137 .045 .0074 |
|
BeT .19179 .18986 .03137 .004 .0074 |
|
BT .19179 .18986 .03137 .059 .0074 |
|
B .10938 .21876 .48285 .0090 |
|
O1 0 0 -.1930 .75 .0257 |
|
OH1 0 0 -.1930 .25 .0257 |
|
O2 .06044 .12088 .5170 .0184 |
|
O3 .2634 .13169 -.4615 .0145 |
|
O4 .09357 .18715 .1045 .0135 |
|
O5 .1862 .09310 .1264 .0142 |
|
O6 .19538 .18497 -.1950 .0108 |
|
O7 .28663 .28622 .1084 .0101 |
|
O8 .20935 .27011 .4685 .0106 |
|
H3 .262 .131 .416 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T5 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003449 |
|
15.9013 15.9013 7.1213 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .632 .0196 |
|
CaX 0 0 .25 .145 .0196 |
|
AlY .12204 .06102 -.33702 .440 .0099 |
|
Fe2Y .12204 .06102 -.33702 .401 .0099 |
|
LiY .12204 .06102 -.33702 .063 .0099 |
|
MgY .12204 .06102 -.33702 .029 .0099 |
|
TiY .12204 .06102 -.33702 .009 .0099 |
|
Mn2Y .12204 .06102 -.33702 .008 .0099 |
|
AlZ .29753 .26084 -.36206 .00843 |
|
SiT .19190 .18994 .02874 .921 .0071 |
|
AlT .19190 .18994 .02874 .022 .0071 |
|
BeT .19190 .18994 .02874 .002 .0071 |
|
BT .19190 .18994 .02874 .056 .0071 |
|
B .10971 .21943 .48112 .0097 |
|
O1 0 0 -.1936 .81 .0325 |
|
OH1 0 0 -.1936 .19 .0325 |
|
O2 .06093 .12185 .5137 .0194 |
|
O3 .2653 .13262 -.4628 .0153 |
|
O4 .09344 .18688 .1002 .0139 |
|
O5 .1867 .09335 .1224 .0139 |
|
O6 .19643 .18609 -.1969 .0115 |
|
O7 .28616 .28613 .1067 .0107 |
|
O8 .20954 .27039 .4672 .0117 |
|
H3 .263 .132 .420 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Ertl A, Giester G, Ludwig T, Meyer H P, Rossman G R |
| |
American Mineralogist 97 (2012) 1591-1597 |
|
Synthetic B-rich olenite: Correlations of single-crystal structural data |
|
Note: sample ElbK-13 |
|
Locality: synthetic at 600 C |
|
_database_code_amcsd 0019525 |
|
15.765 15.765 7.083 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2392 .68 .0277 |
|
AlY .12133 .060665 -.34124 .87 .0072 |
|
LiY .12133 .060665 -.34124 .13 .0072 |
|
AlZ .29657 .25998 -.37354 .00643 |
|
B .10908 .21816 .4714 .0062 |
|
SiT .19135 .18954 .02084 .909 .00413 |
|
BT .19135 .18954 .02084 .091 .00413 |
|
H3 .252 .126 .406 .046 |
|
O1 0 0 -.2107 .0134 |
|
O2 .06016 .12032 .5114 .0099 |
|
O3 .12923 .064615 -.4728 .0107 |
|
O4 .09466 .18932 .0950 .0115 |
|
O5 .18657 .093285 .1166 .0123 |
|
O6 .19336 .18294 -.20621 .00750 |
|
O7 .28686 .28627 .09477 .00752 |
|
O8 .20939 .27003 .45584 .00710 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Ertl A, Giester G, Ludwig T, Meyer H P, Rossman G R |
| |
American Mineralogist 97 (2012) 1591-1597 |
|
Synthetic B-rich olenite: Correlations of single-crystal structural data |
|
Note: sample ElbK-9 |
|
Locality: synthetic at 500 C |
|
_database_code_amcsd 0019526 |
|
15.746 15.746 7.075 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2397 .79 .041 |
|
AlY .12148 .06074 -.3407 .85 .0106 |
|
LiY .12148 .06074 -.3407 .15 .0106 |
|
AlZ .29689 .26026 -.3731 .0070 |
|
B .1088 .2176 .4725 .0070 |
|
SiT .19101 .18941 .02007 .849 .0063 |
|
BT .19101 .18941 .02007 .151 .0063 |
|
H3 .248 .124 .420 .03 |
|
O1 0 0 -.2076 .0154 |
|
O2 .06004 .12008 .5126 .0108 |
|
O3 .2594 .1297 -.4723 .0114 |
|
O4 .09423 .18846 .0933 .0136 |
|
O5 .1860 .0930 .1158 .0149 |
|
O6 .1937 .1832 -.2055 .0086 |
|
O7 .2858 .2856 .0938 .0084 |
|
O8 .2094 .2697 .4565 .0077 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Ertl A, Giester G, Ludwig T, Meyer H P, Rossman G R |
| |
American Mineralogist 97 (2012) 1591-1597 |
|
Synthetic B-rich olenite: Correlations of single-crystal structural data |
|
Note: sample ElbK-11 |
|
Locality: synthetic at 400 C |
|
_database_code_amcsd 0019527 |
|
15.723 15.723 7.068 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2432 .76 .039 |
|
AlY .12201 .061005 -.3411 .88 .0102 |
|
LiY .12201 .061005 -.3411 .12 .0102 |
|
AlZ .29718 .26055 -.3728 .0065 |
|
B .1088 .2176 .4730 .0078 |
|
SiT .19084 .18941 .01968 .800 .0060 |
|
BT .19084 .18941 .01968 .200 .0060 |
|
H3 .252 .126 .430 .03 |
|
O1 0 0 -.2049 .0185 |
|
O2 .06004 .12008 .5116 .0121 |
|
O3 .2606 .1303 -.4717 .0122 |
|
O4 .0939 .1878 .0917 .0144 |
|
O5 .1858 .0929 .1146 .0165 |
|
O6 .1943 .1839 -.2047 .0090 |
|
O7 .2851 .2852 .0936 .0087 |
|
O8 .2094 .2697 .4570 .0079 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Vereshchagin O S, Rozhdestvenskaya I V, Frank-Kamenetskaya O V, |
|
Zolotarev A A, Mashkovtsev R I |
| |
American Mineralogist 98 (2013) 1610-1616 |
|
Crystal chemistry of Cu-bearing tourmalines |
|
Note: Sample 1 |
|
Locality: synthetic |
|
_database_code_amcsd 0020256 |
|
15.840 15.840 7.0910 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 .2186 .86 .0232 .023 .023 .024 .0115 0 0 |
|
AlY .12342 .06171 .6347 .62 .0073 .0066 .0060 .0095 .0033 -.0024 -.00120 |
|
CuY .12342 .06171 .6347 .38 .0073 .0066 .0060 .0095 .0033 -.0024 -.00120 |
|
AlZ .29747 .26001 .6055 .98 .0053 .0056 .0067 .0037 .0032 .0001 .0016 |
|
CuZ .29747 .26001 .6055 .02 .0053 .0056 .0067 .0037 .0032 .0001 .0016 |
|
SiT .19206 .18989 0 .90 .0044 .0042 .0044 .0042 .0020 .0001 -.0007 |
|
AlT .19206 .18989 0 .10 .0044 .0042 .0044 .0042 .0020 .0001 -.0007 |
|
B .1092 .2184 .4525 .0041 .0031 .007 .0037 .0033 -.0006 -.0012 |
|
O1w 0 0 .772 .032 .041 .041 .016 .020 0 0 |
|
O2 .05990 .11980 .4922 .0069 .0091 .0025 .0068 .0012 .0001 .0002 |
|
O3v .2630 .1315 .5059 .0165 .037 .0154 .0042 .0186 -.0036 -.0018 |
|
O4 .0943 .1886 .0738 .0109 .0087 .015 .0110 .0075 -.0002 -.0003 |
|
O5 .1869 .0935 .0975 .0107 .015 .0088 .010 .0074 -.0003 -.0002 |
|
O6 .1955 .1836 .7720 .0064 .0069 .0068 .0059 .0036 -.0005 -.0014 |
|
O7 .2877 .2867 .0746 .0066 .0062 .0065 .0060 .0023 .0012 -.0013 |
|
O8 .2087 .2687 .4352 .0059 .0045 .0072 .0053 .0025 .0005 .0019 |
|
H .2760 .1380 .428 .052 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Shearer C K, Yates M G, Guidotti C V |
|
The Canadian Mineralogist 38 (2000) 861-868 |
|
Tetrahedrally coordinated boron in a tourmaline: Boron-rich olenite from |
|
Stoffhutte, Koralpe, Austria |
|
Locality: Stoffhutte, Koralpe, Austria |
|
_database_code_amcsd 0005693 |
|
15.731 15.731 7.0638 90 90 120 R3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX 0 0 1/4 .294 1.25 .00179 .00179 .0055 .000895 0 0 |
|
CaX 0 0 1/4 .400 1.25 .00179 .00179 .0055 .000895 0 0 |
|
AlY .12153 .060765 -.3248 .808 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
LiY .12153 .060765 -.3248 .119 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
AlZ .29662 .26057 -.35807 .986 .579 .00076 .00088 .00271 .00043 -.000165 .000115 |
|
SiT .19113 .18921 .03576 .809 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
BT .19113 .18921 .03576 .177 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
AlT .19113 .18921 .03576 .014 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
B .10896 .21792 .4856 .64 .00087 .00082 .0034 .00041 .0000 .0000 |
|
O1 0 0 -.1937 .63 1.08 .00153 .00153 .0049 .000765 0 0 |
|
OH1 0 0 -.1937 .31 1.08 .00153 .00153 .0049 .000765 0 0 |
|
F1 0 0 -.1937 .06 1.08 .00153 .00153 .0049 .000765 0 0 |
|
O2 .05978 .11956 .5249 1.10 .00168 .00069 .0065 .000345 .00005 .00010 |
|
O3 .2591 .12955 -.4590 1.00 .00229 .00124 .0032 .001145 -.00035 -.000175 |
|
O4 .09386 .18772 .1105 1.12 .00139 .00189 .0052 .000945 -.00025 -.00050 |
|
O5 .1858 .0929 .1314 1.13 .00202 .00143 .0050 .00101 .0001 .00005 |
|
O6 .19334 .18281 -.1913 .74 .00092 .00095 .0037 .00038 -.0000 -.0001 |
|
O7 .28671 .28591 .1098 .76 .00103 .00101 .0034 .00042 .00025 -.0001 |
|
O8 .20940 .26979 .4705 .72 .00076 .00108 .0040 .000455 .0002 .00055 |
|
H3 .248 .124 .423 1.35 |
|
|
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
The Canadian Mineralogist 41 (2003) 1363-1370 |
|
Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: |
|
A chemical, structural, and infrared spectroscopic study |
|
Sample: GOS1, from the sample rim |
|
Locality: Goslarn, Austria |
|
_database_code_amcsd 0005892 |
|
15.9238 15.9238 7.1822 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 3/4 .71 .02078 |
|
CaX 0 0 3/4 .10 .02078 |
|
KX 0 0 3/4 .001 .02078 |
|
AlY .876224 .938112 .34550 .473 .01107 |
|
MgY .876224 .938112 .34550 .367 .01107 |
|
Fe2+Y .876224 .938112 .34550 .130 .01107 |
|
TiY .876224 .938112 .34550 .030 .01107 |
|
AlZ .702205 .738561 .368213 .823 .00745 |
|
MgZ .702205 .738561 .368213 .177 .00745 |
|
SiT .808262 .810184 .978909 .992 .00682 |
|
AlT .808262 .810184 .978909 .008 .00682 |
|
B .890153 .78031 .52491 .00852 |
|
O1 0 0 .20634 .92 .01565 |
|
OH1 0 0 .20634 .05 .01565 |
|
F1 0 0 .20634 .03 .01565 |
|
O2 .939088 .87818 .49222 .01398 |
|
O3 .73740 .868699 .46854 .01517 |
|
O4 .906579 .81316 .90805 .01235 |
|
O5 .81520 .907599 .88624 .01260 |
|
O6 .804646 .814916 .20231 .01067 |
|
O7 .714675 .714836 .90080 .01027 |
|
O8 .790650 .729803 .53925 .01139 |
|
H3 .7391 .8695 .5862 .043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
The Canadian Mineralogist 41 (2003) 1363-1370 |
|
Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: |
|
A chemical, structural, and infrared spectroscopic study |
|
Sample: GOS2, from the sample core |
|
Locality: Goslarn, Austria |
|
_database_code_amcsd 0005893 |
|
15.9149 15.9149 7.1757 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 3/4 .64 .02086 |
|
CaX 0 0 3/4 .11 .02086 |
|
KX 0 0 3/4 .002 .02086 |
|
AlY .876540 .938270 .34333 .527 .01095 |
|
MgY .876540 .938270 .34333 .303 .01095 |
|
Fe2+Y .876540 .938270 .34333 .137 .01095 |
|
TiY .876540 .938270 .34333 .033 .01095 |
|
AlZ .702229 .738604 .366903 .817 .00768 |
|
MgZ .702229 .738604 .366903 .183 .00768 |
|
SiT .808301 .810218 .977247 .00705 |
|
B .89020 .78039 .52361 .00889 |
|
O1 0 0 .20486 .90 .01615 |
|
OH1 0 0 .20486 .07 .01615 |
|
F1 0 0 .20486 .03 .01615 |
|
O2 .939142 .87828 .49029 .01410 |
|
O3 .73798 .86899 .46729 .01588 |
|
O4 .906525 .81305 .90640 .01258 |
|
O5 .81492 .907462 .88442 .01288 |
|
O6 .804886 .815142 .20088 .01099 |
|
O7 .714600 .714794 .89954 .01051 |
|
O8 .790756 .729849 .53808 .01183 |
|
H3 .7405 .8703 .5831 .044 |
|
|
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View JMOL 3-D Structure (permalink) |
| |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Cempirek J, Novak M, Ertl A, Hughes J M, Rossman G R, Dyar D |
|
The Canadian Mineralogist 44 (2006) 23-60 |
|
Fe-bearing olenite with tetrahedrally coordinated Al |
|
from an abyssal pegmatite at Kutna Hora, Czech Republic: |
|
structure, crystal chemistry, optical and xanes spectra |
|
Locality: Kutna Hora, Czech Republic |
|
_database_code_amcsd 0006068 |
|
15.8838 15.8838 7.1056 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .75 .54 .0206 |
|
CaX 0 0 .75 .14 .0206 |
|
KX 0 0 .75 .01 .0206 |
|
AlY .87802 .93901 .3328 .72 .00940 |
|
Fe2+Y .87802 .93901 .3328 .26 .00940 |
|
Mn2+Y .87802 .93901 .3328 .02 .00940 |
|
AlZ .70287 .73930 .3595 .98 .00786 |
|
MgZ .70287 .73930 .3595 .02 .00786 |
|
SiT .80806 .81011 .9667 .93 .00628 |
|
AlT .80806 .81011 .9667 .07 .00628 |
|
B .89037 .78075 .5162 .0094 |
|
O1W 0 0 .1965 .99 .0226 |
|
FW 0 0 .1965 .01 .0226 |
|
O2 .93921 .87843 .4794 .0164 |
|
O3V .73841 .86921 .4605 .0142 |
|
O4 .90572 .81145 .8948 .0141 |
|
O5 .81252 .90626 .8717 .0147 |
|
O6 .80460 .81545 .1944 .0110 |
|
O7 .71296 .71324 .8910 .00969 |
|
O8 .79067 .72982 .5309 .0107 |
|
H3V .741 .8703 .580 .415 .059 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Marler B, Borowski M, Wodara U, Schreyer W |
| |
European Journal of Mineralogy 14 (2002) 763-771 |
|
Synthetic tourmaline (olenite) with excess boron replacing silicon in the |
|
tetrahedral site: II. Structure analysis |
|
Sample: 1 |
|
Locality: synthetic |
|
_database_code_amcsd 0006942 |
|
15.5996 15.5996 7.0224 90 90 120 R3m |
|
atom x y z occ Biso |
|
NaX 0 0 .781 .77 1.3 |
|
AlY .0598 -.0598 .337 .96 .5 |
|
AlZ .2620 .2971 .373 .5 |
|
SiT .1876 .1885 .9800 .63 .5 |
|
BT .1876 .1885 .9800 .37 .5 |
|
B .8905 -.8905 .541 .5 |
|
OH1 0 0 .215 1.13 .9 |
|
O2 .9413 -.9413 .485 .9 |
|
O3 .1269 -.1269 .478 1.13 .9 |
|
O4 .9061 -.9061 .907 .9 |
|
O5 .0935 -.0935 .881 .9 |
|
O6 .1826 .1926 .200 .9 |
|
O7 .2823 .2836 .911 .9 |
|
O8 .2683 .2090 .546 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Marler B, Borowski M, Wodara U, Schreyer W |
| |
European Journal of Mineralogy 14 (2002) 763-771 |
|
Synthetic tourmaline (olenite) with excess boron replacing silicon in the |
|
tetrahedral site: II. Structure analysis |
|
Sample: 2 |
|
Locality: synthetic |
|
_database_code_amcsd 0006943 |
|
15.6329 15.6329 7.0365 90 90 120 R3m |
|
atom x y z occ Biso |
|
Na 0 0 .779 .67 1.3 |
|
Al1 .0600 -.0600 .339 .96 .5 |
|
Al2 .2616 .2970 .374 .5 |
|
Si1 .1878 .1889 .9800 .70 .5 |
|
B1 .1888 .1890 .9800 .30 .5 |
|
B2 .8915 -.8915 .538 .5 |
|
OH1 0 0 .218 1.13 .9 |
|
O2 .9411 -.9411 .490 .9 |
|
O3 .1269 -.1269 .479 1.13 .9 |
|
O4 .9051 -.9051 .904 .9 |
|
O5 .0934 -.0934 .888 .9 |
|
O6 .1826 .1922 .206 .9 |
|
O7 .2834 .2848 .908 .9 |
|
O8 .2689 .2088 .546 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TM501e |
|
Locality: Kwale, Mombasa, Kenya |
|
_database_code_amcsd 0007045 |
|
15.9267 15.9267 7.1991 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .22976 .742 |
|
KX 0 0 .22976 .011 |
|
CaX 0 0 .22976 .007 |
|
AlY .12227 .061135 .63639 .435 |
|
MgY .12227 .061135 .63639 .424 |
|
Fe3+Y .12227 .061135 .63639 .126 |
|
Ti4+Y .12227 .061135 .63639 .007 |
|
Fe2+Y .12227 .061135 .63639 .002 |
|
Cr3+Y .12227 .061135 .63639 .002 |
|
ZnY .12227 .061135 .63639 .001 |
|
V3+Y .12227 .061135 .63639 .001 |
|
Mn2+Y .12227 .061135 .63639 .001 |
|
AlZ .29767 .26147 .61019 .818 |
|
MgZ .29767 .26147 .61019 .156 |
|
Fe3+Z .29767 .26147 .61019 .026 |
|
SiT .19155 .18965 0 |
|
B .10986 .21972 .45426 |
|
O1W 0 0 .76981 .573 |
|
OH1W 0 0 .76981 .405 |
|
F1W 0 0 .76981 .021 |
|
O2 .06084 .12168 .48728 |
|
OH3V .26123 .130615 .51004 |
|
O4 .09355 .18710 .07090 |
|
O5 .18439 .092195 .09244 |
|
O6 .19455 .18427 .77713 |
|
O7 .28512 .28478 .07745 |
|
O8 .20924 .27015 .43933 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TM84a |
|
Locality: Cooma, New South Wales, Australia |
|
_database_code_amcsd 0007046 |
|
15.9391 15.9391 7.1515 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .22517 .451 |
|
CaX 0 0 .22517 .010 |
|
KX 0 0 .22517 .006 |
|
AlY .12367 .061835 .62959 .515 |
|
Fe2+Y .12367 .061835 .62959 .394 |
|
MgY .12367 .061835 .62959 .058 |
|
Mn2+Y .12367 .061835 .62959 .018 |
|
Ti4+Y .12367 .061835 .62959 .009 |
|
ZnY .12367 .061835 .62959 .004 |
|
Fe3+Y .12367 .061835 .62959 .001 |
|
V3+Y .12367 .061835 .62959 .001 |
|
AlZ .29792 .26129 .60957 .898 |
|
MgZ .29792 .26129 .60957 .073 |
|
Fe3+Z .29792 .26129 .60957 .024 |
|
Fe2+Z .29792 .26129 .60957 .006 |
|
SiT .19175 .18972 0 .992 |
|
AlT .19175 .18972 0 .008 |
|
B .11004 .22008 .45435 |
|
O1W 0 0 .77468 .568 |
|
OH1W 0 0 .77468 .395 |
|
F1W 0 0 .77468 .038 |
|
O2 .06154 .12308 .48978 |
|
OH3V .26455 .132275 .50891 |
|
O4 .09383 .18766 .06929 |
|
O5 .18736 .09368 .09217 |
|
O6 .19651 .18590 .77540 |
|
O7 .28545 .28571 .07782 |
|
O8 .20969 .27054 .43935 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Olenite |
|
Bosi F, Lucchesi S |
| |
European Journal of Mineralogy 16 (2004) 335-344 |
|
Crystal chemistry of the schorl-dravite series |
|
Note: Tourmaline TMl3l |
|
Locality: Cruziero, Minas Gerais, Brazil |
|
_database_code_amcsd 0007052 |
|
15.9669 15.9669 7.1745 90 90 120 R3m |
|
atom x y z occ |
|
NaX 0 0 .22897 .727 |
|
KX 0 0 .22897 .006 |
|
AlY .12422 .06211 .63022 .316 |
|
Fe3+Y .12422 .06211 .63022 .247 |
|
Fe2+Y .12422 .06211 .63022 .242 |
|
MgY .12422 .06211 .63022 .162 |
|
Ti4+Y .12422 .06211 .63022 .016 |
|
Mn2+Y .12422 .06211 .63022 .008 |
|
ZnY .12422 .06211 .63022 .006 |
|
LiY .12422 .06211 .63022 .002 |
|
AlZ .29831 .26168 .61102 .897 |
|
MgZ .29831 .26168 .61102 .070 |
|
Fe2+Z .29831 .26168 .61102 .033 |
|
SiT .19182 .18987 0 .990 |
|
AlT .19182 .18987 0 .010 |
|
B .11007 .22014 .45534 |
|
O1W 0 0 .77774 .793 |
|
F1W 0 0 .77774 .207 |
|
O2 .06133 .12266 .48563 |
|
OH3V .26698 .13349 .51063 |
|
O4 .09320 .18640 .06915 |
|
O5 .18598 .09299 .09163 |
|
O6 .19714 .18675 .77649 |
|
O7 .28507 .28537 .07928 |
|
O8 .20970 .27053 .44096 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
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| Download AMC data (View Text File)
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Olenite |
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Ertl A, Schuster R, Hughes J M, Ludwig T, Meyer H-P, |
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Finger F, Dyar M D, Ruschel K, Rossman G R, Klotzli U, |
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Brandstatter F, Lengauer C L, Tillmanns E |
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European Journal of Mineralogy 24 (2012) 695-715 |
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Li-bearing tourmalines in Variscan granitic pegmatites |
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from the Moldanubian nappes, Lower Austria |
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Note: Sample MAG |
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Locality: Maigen, Moldanubian nappes, Lower Austria |
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_database_code_amcsd 0019402 |
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15.8830 15.8830 7.1093 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2500 .56 .0269 |
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CaX 0 0 .2500 .01 .0269 |
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KX 0 0 .2500 .01 .0269 |
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AlY .12248 -.06124 .34775 .440 .0112 |
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Fe3+Y .12248 -.06124 .34775 .150 .0112 |
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Mn2+Y .12248 -.06124 .34775 .133 .0112 |
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Fe2+Y .12248 -.06124 .34775 .073 .0112 |
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LiY .12248 -.06124 .34775 .070 .0112 |
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ZnY .12248 -.06124 .34775 .010 .0112 |
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Ti4+Y .12248 -.06124 .34775 .003 .0112 |
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AlZ .29724 .26071 .36897 .00770 |
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SiT .19185 .18983 .02240 .928 .00710 |
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AlT .19185 .18983 .02240 .047 .00710 |
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BT .19185 .18983 .02240 .025 .00710 |
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B .10962 -.21924 .4750 .0087 |
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F1 0 0 .2050 .26 .0288 |
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O1 0 0 .2050 .74 .0288 |
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H1 .0186 .0373 .182 .74 .000 |
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O2 .06098 -.12196 .5092 .0178 |
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O3 .2639 -.13195 .4703 .0145 |
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H3 .258 -.129 .591 .046 |
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O4 .09416 -.18832 .0941 .0118 |
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O5 .1879 -.09395 .1166 .0125 |
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O6 .19581 .18530 .2039 .0104 |
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O7 .28642 .28647 .0997 .0091 |
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O8 .20963 .27061 .46040 .0101 |
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Olenite |
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Ertl A, Pertlik F, Bernhardt H J |
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Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3-10 |
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Investigations on olenite with exess boron from Koralpe, Styria, Austria |
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Locality: Koralpe, Styria, Austria |
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_database_code_amcsd 0018673 |
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15.7395 15.7395 7.0656 90 90 120 R3m |
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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 .7863 .42 .0240 .0240 .0205 0 0 .0120 |
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CaX 0 0 .7863 .30 .0240 .0240 .0205 0 0 .0120 |
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AlY .72742 .45484 .69377 .798 .0090 .0098 .0127 .0020 .0010 .0049 |
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LiY .72742 .45484 .69377 .202 .0090 .0098 .0127 .0020 .0010 .0049 |
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AlZ .70336 .73949 .39367 .978 .0100 .0112 .0087 .0006 -.0008 .0054 |
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LiZ .70336 .73949 .39367 .022 .0100 .0112 .0087 .0006 -.0008 .0054 |
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SiT .80884 .81074 .00000 .873 .0096 .0089 .0086 -.0007 .0001 .0037 |
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BT .80884 .81074 .00000 .127 .0096 .0089 .0086 -.0007 .0001 .0037 |
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B .89097 .78193 .54964 .0097 .0094 .0103 .0047 .0003 .0006 |
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O1 0 0 .2293 .0172 .0172 .0147 .0086 0 0 |
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O2 .94018 .88036 .50990 .0183 .0092 .0165 .0046 .00065 .0013 |
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O3 .79598 .59197 .82810 .95 .0133 .0233 .0099 .01165 .00055 .0011 |
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F3 .79598 .59197 .82810 .05 .0133 .0233 .0099 .01165 .00055 .0011 |
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O4 .90602 .81204 .92518 .0151 .0197 .0136 .01985 .00115 -.0023 |
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O5 .42632 .85264 .57106 .0157 .0227 .0128 .01135 .00025 -.0005 |
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O6 .80684 .81726 .22691 .0107 .0111 .0101 .0043 .0004 -.0002 |
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O7 .71337 .71409 .92579 .0110 .0110 .0106 .0042 .0012 -.0008 |
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O8 .79067 .73015 .56501 .0090 .0126 .0116 .0053 .0010 .0032 |
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H3 .794 .589 .956 .95 .0517 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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