American Mineralogist Crystal Structure Database

36 matching records for this search.

Olenite
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
Download am/vol89/AM89_447.pdf
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
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
Download am/vol89/AM89_447.pdf
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
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
Download am/vol89/AM89_447.pdf
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
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
Download am/vol89/AM89_447.pdf
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
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
Download am/vol89/AM89_447.pdf
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)
 
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
Download am/vol91/AM91_1847.pdf
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 (permalink)
 
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
Download am/vol91/AM91_1847.pdf
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 (permalink)
 
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
Download am/vol91/AM91_1847.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Elbaite
Download hom/elbaite.pdf
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F,
Korner W, Schuster R, Pertlik F, Marschall H
Download am/vol91/AM91_1847.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample bls1
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019249
16.0393 16.0393 7.2536 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   .75  .94  .0232  .0223  .0223  .0252  .0111       0       0
CaX       0       0   .75  .06  .0232  .0223  .0223  .0252  .0111       0       0
AlY  .87678 .938390 .3393 .171 .01064 .01091 .00810 .01386 .00546 -.00379 -.00189
FeY  .87678 .938390 .3393 .829 .01064 .01091 .00810 .01386 .00546 -.00379 -.00189
AlZ  .70130  .73828 .3619 .797 .00771 .00729 .00751 .00779 .00330      04  .00052
FeZ  .70130  .73828 .3619 .203 .00771 .00729 .00751 .00779 .00330      04  .00052
SiT  .80868  .81039 .9732      .00755 .00706 .00672 .00890 .00349 -.00056 -.00061
B    .88976  .77952 .5194       .0102  .0102  .0096  .0107  .0048   .0007   .0014
O1        0       0 .1895  .47  .0219  .0258  .0258  .0141  .0129       0       0
OH1       0       0 .1895  .23  .0219  .0258  .0258  .0141  .0129       0       0
F1        0       0 .1895  .30  .0219  .0258  .0258  .0141  .0129       0       0
O2   .93852  .87704 .4919       .0144  .0164  .0092  .0151  .0046   .0003   .0007
O3   .73317  .86659 .4614       .0171  .0255  .0185  .0098  .0127   .0031   .0015
O4   .90743  .81485 .9047       .0130  .0107  .0186  .0122  .0093  -.0007  -.0014
O5   .81543  .90772 .8840       .0130  .0187  .0105  .0126  .0094   .0015   .0008
O6   .80337  .81272 .1945      .01157  .0130  .0128  .0092  .0066  -.0006  -.0009
O7   .71602  .71574 .8939      .01232  .0114  .0094  .0136  .0032  -.0035  -.0012
O8   .79074  .72986 .5317       .0150  .0088  .0140  .0224  .0058   .0011   .0024
H3     .730    .865  .583        .081
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample bls2
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019250
16.043 16.043 7.2470 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   .2214 .938  .0233  .0223  .0223  .0252  .0111       0       0
CaX        0       0   .2214 .062  .0233  .0223  .0223  .0252  .0111       0       0
FeY  .123380 .061690  .63190 .819 .00889 .00907 .00633 .01218 .00453 -.00402 -.00201
AlY  .123380 .061690  .63190 .181 .00889 .00907 .00633 .01218 .00453 -.00402 -.00201
AlZ  .298753 .261743  .60992 .818 .00578 .00549 .00554 .00589 .00243 -.00015  .00037
FeZ  .298753 .261743  .60992 .182 .00578 .00549 .00554 .00589 .00243 -.00015  .00037
SiT  .191418 .189671 -.00132      .00569 .00523 .00509 .00687 .00267 -.00073 -.00069
B     .11031  .22062   .4529       .0080  .0068  .0066  .0106  .0033   .0005   .0009
O1         0       0   .7819  .47  .0237  .0278  .0278  .0154  .0139       0       0
OH1        0       0   .7819  .23  .0237  .0278  .0278  .0154  .0139       0       0
F1         0       0   .7819  .30  .0237  .0278  .0278  .0154  .0139       0       0
O2    .06156  .12313  .48000       .0127  .0152  .0069  .0131  .0034  .00040   .0008
O3    .26778  .13389  .51011       .0148  .0230  .0159  .0077  .0115   .0026  .00131
O4    .09269  .18539  .06750      .01073  .0079  .0162  .0109  .0081 -.00049  -.0010
O5    .18477  .09238  .08793      .01057  .0156  .0076  .0112  .0078   .0012  .00061
O6    .19673  .18745  .77711      .00945  .0108  .0106  .0069  .0054  -.0006  -.0009
O7    .28411  .28447  .07804      .01003  .0087  .0075  .0112  .0021  -.0031  -.0011
O8    .20933  .27023  .44032      .01231  .0056  .0113  .0194  .0037   .0010   .0022
H3      .260    .130    .381        .055
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample bls2h1, heated in air at 700 C for 10 h
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019251
15.917 15.917 7.2520 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 .21929 .970  .0207  .0222  .0222  .0176  .0111       0       0
CaX        0       0 .21929 .030  .0207  .0222  .0222  .0176  .0111       0       0
FeY  .126210 .063105 .63391 .724 .00985 .01277 .00741 .01114 .00639 -.00559 -.00280
AlY  .126210 .063105 .63391 .276 .00985 .01277 .00741 .01114 .00639 -.00559 -.00280
AlZ  .297531  .25723 .60489 .773 .00732 .00524 .00927 .00681 .00314  .00007  .00207
FeZ  .297531  .25723 .60489 .227 .00732 .00524 .00927 .00681 .00314  .00007  .00207
SiT  .191134  .19027 .00136      .00554 .00524 .00498 .00645 .00260 -.00043 -.00055
B     .11019  .22039  .4533       .0071  .0060  .0064  .0090  .0032   .0001   .0001
O1         0       0  .7643       .0102  .0106  .0106  .0094  .0053       0       0
O2    .06080  .12160 .48499      .00948  .0101  .0057  .0112 .00284  .00012   .0002
O3    .26034  .13017 .52235      .01054  .0146  .0099  .0086  .0073  -.0003 -.00014
O4    .09408  .18815 .07761      .00968  .0072  .0140  .0101  .0070 -.00037  -.0007
O5    .18202  .09101 .08532      .01018  .0153  .0075  .0103  .0077   .0015  .00076
O6    .19188  .18634 .77885      .00846  .0093  .0091  .0061  .0041  -.0005  -.0007
O7    .28586  .28515 .07673      .00855  .0070  .0069  .0093  .0017  -.0012  -.0010
O8    .20932  .27020 .44018      .00910  .0054  .0089  .0129  .0034   .0005   .0024
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View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample bls2h2, heated a second time in air at 750 C for 72 h
Locality: Blocherleitengraben, Lower Austria
_database_code_amcsd 0019252
15.918 15.918 7.2600 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  .2199 .971  .0209  .0224  .0224  .0178  .0112       0       0
CaX        0       0  .2199 .029  .0209  .0224  .0224  .0178  .0112       0       0
FeY   .12583 .062916 .63456 .676 .00990 .01256 .00763 .01116 .00628 -.00515 -.00257
AlY   .12583 .062916 .63456 .324 .00990 .01256 .00763 .01116 .00628 -.00515 -.00257
AlZ  .297414  .25699 .60442 .751 .00767 .00541 .00953 .00728 .00314  .00017  .00223
FeZ  .297414  .25699 .60442 .249 .00767 .00541 .00953 .00728 .00314  .00017  .00223
SiT   .19105  .19018 .00121      .00590 .00562 .00553 .00662 .00284 -.00037 -.00057
B     .11011  .22023  .4532       .0079  .0075  .0067  .0094  .0033   .0002   .0003
O1         0       0  .7627       .0100  .0096  .0096  .0106  .0048       0       0
O2    .06072  .12143 .48567       .0100  .0102  .0064  .0121  .0032  .00010   .0002
O3    .25949  .12974 .52253       .0109  .0143  .0103  .0094  .0072  -.0001  -.0001
O4    .09423  .18846 .07786       .0102  .0077  .0146  .0106  .0073 -.00054  -.0011
O5    .18185  .09092 .08526       .0106  .0156  .0081  .0107  .0078   .0013   .0007
O6    .19142  .18593 .77868      .00888  .0101  .0095  .0065  .0045  -.0007  -.0006
O7    .28587  .28509 .07625      .00898  .0075  .0072  .0099  .0019  -.0011  -.0013
O8    .20918  .26999 .43951      .00993  .0060  .0090  .0142  .0033   .0004   .0023
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Fluor-tsilaisite
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample mnelb3
Locality: Elba, Italy
_database_code_amcsd 0019253
15.951 15.951 7.1380 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  .7714 .666  .0239  .0256  .0256  .0207  .0128       0       0
AlY   .87608 .938042 .37180 .589 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139
MnY   .87608 .938042 .37180 .411 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139
AlZ   .70199  .73879 .38810      .00538 .00527 .00590 .00480 .00267  .00000  .00059
SiT  .808130 .810048 .99836      .00493 .00487 .00465 .00527 .00237 -.00031 -.00050
B     .89002  .78004  .5443       .0065  .0068  .0049  .0070  .0025  .00048   .0010
F1         0       0  .2193  .57  .0447  .0613  .0613  .0116  .0306       0       0
O1         0       0  .2193  .43  .0447  .0613  .0613  .0116  .0306       0       0
O2    .93850  .87701 .51363       .0180  .0281  .0054  .0130  .0027  .00048   .0010
O3    .73198  .86599 .48923      .01179  .0224  .0107  .0062  .0112  -.0003 -.00016
O4    .90643  .81286 .92846      .00911  .0067  .0136  .0093  .0068 -.00085  -.0017
O5    .81260  .90630 .90659      .00951  .0148  .0071  .0092  .0074   .0009  .00047
O6    .80269  .81281 .22330      .00814  .0086  .0097  .0051  .0038   .0003  -.0001
O7    .71441  .71398 .91919      .00719  .0064  .0065  .0068  .0019  -.0002  -.0011
O8    .79000  .72921 .55792      .00849  .0057  .0111  .0092  .0046   .0009   .0033
H3      .737   .8687   .609        .029
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Fluor-tsilaisite
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample mnelb3h, heated in air at 750 C for 30 h
Locality: Elba, Italy
_database_code_amcsd 0019254
15.852 15.852 7.1480 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  .7750 .674  .0237  .0256  .0256  .0200  .0128       0       0
AlY   .87639 .938193 .36624 .706 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
MnY   .87639 .938193 .36624 .294 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
AlZ  .703240 .741089 .39232 .935 .00685 .00522 .00904 .00591 .00328  .00004  .00164
MnZ  .703240 .741089 .39232 .065 .00685 .00522 .00904 .00591 .00328  .00004  .00164
SiT  .808599 .810065 .99750      .00519 .00499 .00479 .00579 .00245 -.00049 -.00053
B     .89009  .78019 .54634      .00656  .0058  .0059  .0079 .00297 -.00006  -.0001
F1         0       0  .2363  .14  .0150  .0156  .0156  .0138  .0078       0       0
O1         0       0  .2363  .86  .0150  .0156  .0156  .0138  .0078       0       0
O2    .93913  .87826 .51095      .01150  .0137  .0059  .0124 .00294  .00018   .0004
O3    .74050  .87025 .48491      .01167  .0192  .0099  .0090 .00958  -.0006 -.00029
O4    .90523  .81046 .92215      .00977  .0070  .0145  .0103 .00724 -.00063  -.0013
O5    .81440  .90720 .90727      .01069  .0171  .0080  .0101 .00855   .0023  .00113
O6    .80696  .81508 .22339      .00814  .0081  .0090  .0059 .00321 -.00034 -.00006
O7    .71347  .71388 .92205      .00740  .0066  .0066  .0071 .00178 -.00071 -.00129
O8    .79026  .72920 .56059      .00797  .0052  .0091  .0096 .00357  .00068  .00274
H3      .751   .8757   .622        .085
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Nabesite
 
Petersen O V, Giester G, Brandstatter F, Niedermayr G
Download cm/vol40/CM40_173.pdf
The Canadian Mineralogist 40 (2002) 173-181
Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline
complex, South Greenland
Sample: T = 293 K
Locality: Ilimaussaq alkaline complex, South Greenland
_database_code_amcsd 0005760
9.748 10.133 11.954 90 90 90 P2_12_12_1
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Na1   .02823  .19660  .81506 .02878  .0224  .0304  .0335  -.0083  -.0043   .0052
Na2   .37372  .25369  .73922  .0447  .0554  .0330  .0456   .0029  -.0111   .0044
Be    .24232  .26224  .25678  .0084  .0104  .0078  .0070   .0003  -.0025  -.0009
Si1   .08393  .35478  .06419 .00750 .00767 .00662 .00820  .00026 -.00143  .00092
Si2   .39961  .36283  .44722 .00765 .00782 .00677 .00835 -.00044 -.00094 -.00128
Si3   .29128  .14866  .03408 .00839 .00822 .00770 .00926 -.00077  .00010  .00122
Si4   .20023  .14856  .47842 .00781 .00819 .00702 .00821  .00068 -.00033 -.00160
O1    .11930  .34407  .19374 .01217  .0143  .0137  .0085  -.0007  -.0033   .0047
O2    .12092  .49694  .01041 .01716  .0232  .0085  .0198   .0054   .0002  -.0008
O3   -.07946  .32732  .04934 .01433  .0082  .0194  .0153   .0012  -.0033   .0002
O4    .16731  .24433 -.00928 .01126  .0130  .0110  .0098  -.0017  -.0020   .0056
O5    .34741  .36353  .32118 .01214  .0147  .0123  .0094   .0009  -.0039  -.0040
O6    .56197  .32609  .44915 .01601  .0076  .0219  .0185  -.0028  -.0024   .0012
O7    .31580  .25353  .52237 .01135  .0133  .0102  .0105   .0011  -.0013  -.0054
O8    .32791  .17820  .16101 .01294  .0143  .0156  .0089  -.0030  -.0028   .0043
O9    .24094 -.00340  .01423 .01378  .0161  .0064  .0189  -.0025   .0021   .0000
O10   .17608  .15933  .34733 .01483  .0207  .0153  .0085   .0024  -.0033  -.0078
OW1   .22056  .07549  .76168  .0277  .0474  .0182  .0176  -.0026  -.0078   .0091
OW2   .16099  .37520  .73814  .0316  .0475  .0203  .0270  -.0036  -.0055   .0033
OW3  -.05881  .02080  .94934  .0379  .0354  .0387  .0396  -.0047  -.0076  -.0034
OW4   .47439  .44438  .80888  .0394  .0399  .0361  .0421   .0176  -.0003   .0086
H1      .249    .009    .807   .066
H2      .209    .049    .689   .067
H3      .171    .442    .759   .045
H4      .095    .383    .699   .059
H5     -.077    .029   .0225   .047
H6      .034    .011    .959   .102
H7      .446    .527    .788   .074
H8      .554    .404    .765   .075
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Olenite
Download hom/olenite.pdf
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R
Download cm/vol41/CM41_1363.pdf
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
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Olenite
Download hom/olenite.pdf
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R
Download cm/vol41/CM41_1363.pdf
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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Pertlikite
 
Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C
Download cm/vol46/CM46_661.pdf
The Canadian Mineralogist 46 (2008) 661-669
Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran
Locality: Madeni Zakh, Iran
_database_code_amcsd 0006190
19.2080 19.2080 27.2158 90 90 90 *I4_1/acd
0 -.25 .125
atom       x       y       z  occ   Uiso
S1   .961717 .013192 .881669      .01256
S2   .855855 .093187 .012190      .01247
S3   .106330 .130649 .974391      .01271
Fe1        0       0       0      .01297
Fe2  .794208       0     3/4 .719 .01341
Mg2  .794208       0     3/4 .281 .01341
Mg3  .852518 .147397 .897173 .742 .01346
Fe3  .852518 .147395 .897173 .258 .01346
Al         0     .25    .125      .01185
K     .00007       0     3/4      .03164
O1    .94004 -.05104  .85726       .0293
O2    .00530  .05430  .84827       .0234
O3    .89868  .05176  .89558       .0230
O4    .00262 -.00378  .92639       .0193
O5    .85269  .13891  .05494       .0290
O6    .82315  .12712  .96982       .0229
O7    .81894  .02821  .02480       .0233
O8    .92949  .07699  .00033       .0190
O9    .08850  .19804  .99582       .0298
O10   .08053  .12894  .92374       .0239
O11   .18249  .12144  .97558       .0245
O12   .07354  .07388  .00326       .0192
O13   .94033  .19736  .92101       .0247
H13A   .9744   .1777   .9208        .065
H13B   .9316   .2257   .9413        .073
O14   .79926  .04325  .68084       .0252
H14A   .8389   .0467   .6716        .079
H14B   .7683   .0688   .6744        .106
O15   .75947  .10238  .87849       .0248
H15A   .7275   .1120   .8966        .064
H15B    .752    .096   .8505        .103
Wat1  -.0137   .1927  .17896 .225  .0198
Wat2  -.0190   .1585  .10342 .222  .0210
Wat3  -.0759   .2820  .08946 .236  .0227
Wat4   .0579   .2639  .17991 .221  .0216
Wat5   .0898   .2685  .10361 .233  .0213
Wat6  -.0332   .3269  .08894 .228  .0218
Wat7       0     .25   .1946 .129   .023
Wat8  -.0697   .3197    .125 .134   .024
Wat9   .0694   .3194    .125 .133   .023
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Orthowalpurgite
Download hom/orthowalpurgite.pdf
Krause W, Effenberger H, Brandstatter F
 
European Journal of Mineralogy 7 (1995) 1313-1324
Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O,
a new mineral from the Black Forest, Germany
Locality: Black Forest, Germany
_database_code_amcsd 0006607
5.492 13.324 20.685 90 90 90 Pbcm
atom     x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .6850 -.0150    1/4 .020  .0154  .0266  .0187 -.0019      0      0
Bi1  .6754 .10257 .03039 .012  .0067  .0120  .0162  .0000 -.0015 -.0001
Bi2  .2199 .30468 .07715 .012  .0091  .0123  .0141 -.0011  .0006  .0000
As   .2014  .0033  .1292 .014   .012   .016   .014  -.003   .001  .0004
Ou1   .804  -.147    1/4 .045
Ou2   .560   .121    1/4 .031
Oo1   .399   .434  .0352 .015
Oo2   .484    1/4      0 .010
Oo3   .005    1/4      0 .018
Oa1   .335   .111  .1009 .012
Oa2   .397  -.064  .3250 .021
Oa3   .103  -.071  .0672 .012
Oa4  -.053   .033  .1708 .018
Wat   .762   .246  .1459 .037
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Olenite
Download hom/olenite.pdf
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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Rancieite
Download hom/rancieite.pdf
Ertl A, Pertlik F, Prem M, Post J E, Kim S J, Brandstatter F, Schuster R
 
European Journal of Mineralogy 17 (2005) 163-172
Rancieite crystals from Friesach, Carinthia, Austria
Note: Birnessite group
Locality: Friesach, Carinthia, Austria
_database_code_amcsd 0007090
2.845 2.845 7.485 90 90 120 P-3
atom   x   y    z occ Biso
Ca    .5   0   .5 .53 1.40
Mn4+   0   0    0 1/6 1.40
O1   1/3 2/3 .140 1/3 1.40
O2     0   0   .5 .32 1.40
O3   2/3 1/3 .380 .60 1.40
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Dumortierite
Download hom/dumortierite.pdf
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
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Dumortierite
Download hom/dumortierite.pdf
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
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Fluor-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 TK12
Locality: Konigsalm, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019398
15.987 15.987 7.163 90 90 120 R3m
atom       x       y      z  occ   Uiso
NaX        0       0  .2498  .76  .0249
CaX        0       0  .2498  .05  .0249
KX         0       0  .2498  .01  .0249
Fe2+Y .12555 .062775 .35054 .598 .01047
AlY   .12555 .062775 .35054 .207 .01047
MnY   .12555 .062775 .35054 .063 .01047
Ti4+Y .12555 .062775 .35054 .040 .01047
Mn2+Y .12555 .062775 .35054 .033 .01047
Fe3+Y .12555 .062775 .35054 .030 .01047
LiY   .12555 .062775 .35054 .023 .01047
ZnY   .12555 .062775 .35054 .003 .01047
AlZ   .29863  .26179 .36581 .960  .0070
MgZ   .29863  .26179 .36581 .038  .0070
Fe3+Z .29863  .26179 .36581 .002  .0070
SiT   .01919  .18998 .02289 .962  .0078
AlT   .01919  .18998 .02289 .035  .0078
BT    .01919  .18998 .02289 .003  .0078
B     .11023  .22046  .4774       .0100
F1         0       0  .1934  .58   .041
OH1        0       0  .1934  .18   .041
O1         0       0  .1934  .24   .041
O2    .06176  .12352  .5069       .0172
O3     .2695  .13475  .4669       .0144
H3      .270    .135   .585         .19
O4    .09310  .18620  .0914       .0125
O5     .1868   .0934  .1142       .0127
O6    .19796  .18793  .2011       .0110
O7    .28509  .28556  .1028       .0106
O8    .20990  .27070  .4643       .0122
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Foitite
Download hom/foitite.pdf
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 TK3
Locality: Konigsalm, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019399
15.9537 15.9537 7.1448 90 90 120 R3m
atom       x       y      z  occ   Uiso
NaX        0       0  .2498  .37  .0297
Fe2+Y .12457 .062285 .35730 .373 .01059
AlY   .12457 .062285 .35730 .363 .01059
MgY   .12457 .062285 .35730 .187 .01059
Mn2+Y .12457 .062285 .35730 .027 .01059
Fe3+Y .12457 .062285 .35730 .023 .01059
LiY   .12457 .062285 .35730 .007 .01059
Ti4+Y .12457 .062285 .35730 .003 .01059
ZnY   .12457 .062285 .35730 .003 .01059
AlZ   .29815  .26147 .37335 .957  .0078
MgZ   .29815  .26147 .37335 .043  .0078
SiT   .19187  .18986 .01622 .993  .0070
AlT   .19187  .18986 .01622 .007  .0070
B     .11010  .22020  .4713       .0094
F1         0       0  .2093  .05   .028
O1         0       0  .2093  .95   .028
H1     .0298   .0149   .169  .95   .000
O2    .06188  .12376  .5054       .0172
O3     .2661  .13305  .4746       .0138
H3      .257   .1285   .605        .038
O4    .09376  .18752  .0841       .0118
O5     .1878   .0939  .1071       .0117
O6    .19738  .18678  .2082       .0103
O7    .28534  .28581  .0950       .0099
O8    .20990  .27076  .4564       .0111
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Magnesiofoitite
 
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 TK42
Locality: Konigsalm, Moldanian nappes, Lower Austria
_database_code_amcsd 0019400
15.9476 15.9476 7.1578 90 90 120 R3m
atom       x      y      z  occ  Uiso
NaX        0      0  .2494  .49 .0308
Fe2+Y .12456 .06228 .35953 .323 .0102
AlY   .12456 .06228 .35953 .310 .0102
MgY   .12456 .06228 .35953 .250 .0102
Fe3+Y .12456 .06228 .35953 .077 .0102
Mn2+Y .12456 .06228 .35953 .013 .0102
LiY   .12456 .06228 .35953 .003 .0102
Ti4+Y .12456 .06228 .35953 .003 .0102
AlZ   .29816 .26145 .37657 .953 .0065
MgZ   .29816 .26145 .37657 .047 .0065
SiT   .19193 .18994 .01238 .992 .0060
AlT   .19193 .18994 .01238 .008 .0060
B      .1102  .2204  .4669      .0098
OH1        0      0  .2110  .91 .0256
F1         0      0  .2110  .03 .0256
O1         0      0  .2110  .06 .0256
O2    .06173 .12346  .5011      .0165
O3     .2660  .1330  .4770      .0131
H3      .263  .1315   .577        .04
O4    .09352 .18704  .0807      .0110
O5     .1872  .0936  .1040      .0105
O6     .1974  .1867  .2119      .0098
O7     .2851  .2856  .0914      .0088
O8     .2099  .2707  .4532      .0106
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View JMOL 3-D Structure (permalink)
 
Schorl
Download hom/schorl.pdf
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)
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Olenite
Download hom/olenite.pdf
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 MAG
Locality: Maigen, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019402
15.8830 15.8830 7.1093 90 90 120 R3m
atom       x       y      z  occ   Uiso
NaX        0       0  .2500  .56  .0269
CaX        0       0  .2500  .01  .0269
KX         0       0  .2500  .01  .0269
AlY   .12248 -.06124 .34775 .440  .0112
Fe3+Y .12248 -.06124 .34775 .150  .0112
Mn2+Y .12248 -.06124 .34775 .133  .0112
Fe2+Y .12248 -.06124 .34775 .073  .0112
LiY   .12248 -.06124 .34775 .070  .0112
ZnY   .12248 -.06124 .34775 .010  .0112
Ti4+Y .12248 -.06124 .34775 .003  .0112
AlZ   .29724  .26071 .36897      .00770
SiT   .19185  .18983 .02240 .928 .00710
AlT   .19185  .18983 .02240 .047 .00710
BT    .19185  .18983 .02240 .025 .00710
B     .10962 -.21924  .4750       .0087
F1         0       0  .2050  .26  .0288
O1         0       0  .2050  .74  .0288
H1     .0186   .0373   .182  .74   .000
O2    .06098 -.12196  .5092       .0178
O3     .2639 -.13195  .4703       .0145
H3      .258   -.129   .591        .046
O4    .09416 -.18832  .0941       .0118
O5     .1879 -.09395  .1166       .0125
O6    .19581  .18530  .2039       .0104
O7    .28642  .28647  .0997       .0091
O8    .20963  .27061 .46040       .0101
Download AMC data (View Text File)
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Fluor-elbaite
 
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 MAP12
Locality: Maigen, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019403
15.8887 15.8887 7.1202 90 90 120 R3m
atom       x       y      z  occ  Uiso
NaX        0       0  .2495  .84 .0268
CaX        0       0  .2495  .02 .0268
AlY   .12373 .061865  .3567 .450 .0111
LiY   .12373 .061865  .3567 .260 .0111
Mn2+Y .12373 .061865  .3567 .217 .0111
Ti4+Y .12373 .061865  .3567 .003 .0111
AlZ   .29754  .26074 .37275      .0079
SiT   .19192  .18998 .01580 .987 .0067
AlT   .19192  .18998 .01580 .007 .0067
BT    .19192  .18998 .01580 .007 .0067
B     .10962  .21924  .4707      .0083
F1         0       0  .2010  .81  .058
OH1        0       0  .2010  .19  .058
O2    .06081  .12162  .4997      .0203
O3     .2681  .13405  .4746      .0132
H3      .266    .133   .588       .019
O4    .09330  .18660  .0874      .0103
O5    .18669 .093345  .1095      .0107
O6    .19673  .18670  .2086      .0099
O7    .28577  .28582  .0959      .0085
O8    .20987  .27064 .45693      .0101
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
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 BLG1
Locality: Blocherleitengraben, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019404
15.9107 15.9107 7.1267 90 90 120 R3m
atom       x       y      z  occ  Uiso
NaX        0       0  .7501  .89 .0255
CaX        0       0  .7501  .05 .0255
KX         0       0  .7501  .01 .0255
AlY   .12380 -.06190 .35847 .383  .112
LiY   .12380 -.06190 .35847 .197  .112
Fe2+Y .12380 -.06190 .35847 .187  .112
Mn2+Y .12380 -.06190 .35847 .160  .112
Ti4+Y .12380 -.06190 .35847 .013  .112
ZnY   .12380 -.06190 .35847 .003  .112
AlZ   .29702  .26092 .37126      .0077
SiT   .19192  .19002 .01710 .978 .0067
AlT   .19192  .19002 .01710 .012 .0067
BT    .19192  .19002 .01710 .010 .0067
B     .10992 -.21984  .4721      .0084
F1         0       0  .1984  .79  .061
O1         0       0  .1984  .18  .061
OH1        0       0  .1984  .03  .061
O2    .06107 -.12214  .5000      .0198
O3     .2688  -.1344  .4728      .0118
H3      .268   -.134   .590       .027
O4    .09313 -.18626  .0883      .0102
O5     .1864  -.0932  .1100      .0107
O6    .19727  .18731  .2073      .0098
O7    .28555  .28580  .0974      .0086
O8    .21008  .27078  .4585      .0102
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
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 BLP1
Locality: Blocherleitengraben, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019405
15.8430 15.8430 7.1051 90 90 120 R3m
atom       x        y      z  occ  Uiso
NaX        0        0  .7501  .76 .0244
CaX        0        0  .7501  .12 .0244
AlY   .12331 -.061655  .3502 .507 .0120
LiY   .12331 -.061655  .3502 .230 .0120
Mn2+Y .12331 -.061655  .3502 .143 .0120
Fe2+Y .12331 -.061655  .3502 .030 .0120
AlZ   .29737   .26055 .37027 .997 .0091
Ti4+Z .29737   .26055 .37027 .003 .0091
SiT   .19175   .18986 .01896 .952 .0067
BT    .19175   .18986 .01896 .048 .0067
B     .10955  -.21910  .4732      .0098
F1         0        0  .1990  .69  .050
OH1        0        0  .1990  .31  .050
O2    .06057  -.12114  .4959      .0205
O3     .2668   -.1334  .4716      .0147
H3      .266    -.133   .585       .041
O4    .09332  -.18664  .0911      .0121
O5     .1864   -.0932  .1129      .0125
O6    .19609   .18609  .2057      .0110
O7    .28568   .28563  .0981      .0096
O8    .20990   .27049  .4593      .0108
Download AMC data (View Text File)
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Niedermayrite
Download hom/niedermayrite.pdf
Giester G, Rieck B, Brandstatter F
 
Mineralogy and Petrology 63 (1998) 19-34
Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece
Locality: Lavrion mining district, Attica peninsula, Greece
_database_code_amcsd 0014641
5.543 21.995 6.079 90 92.04 90 P2_1/m
atom       x       y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  -.00630 -.00111 .24915 .01631  .0141  .0223  .0126  .0009  .0003 .00127
Cu2       .5       0     .5  .0169  .0130  .0233  .0144 -.0011  .0016  .0001
Cu3       .5       0      0  .0166  .0130  .0223  .0145  .0011 -.0003 -.0005
Cd    .62100     .25 .47772 .02368  .0233  .0226  .0252      0 .00193      0
S     .31529  .13649 .18170  .0185  .0179  .0167  .0209 -.0013  .0013 -.0011
O1     .5091  .14834  .0308  .0272   .029  .0220  .0313 -.0004  .0104 -.0027
O2     .0796  .15132  .0758  .0273  .0226  .0234  .0356 -.0020 -.0042  .0043
O3     .3176  .07153  .2452  .0202  .0225  .0177  .0204  .0013 -.0006  .0001
O4     .3495  .17410  .3831  .0300  .0334  .0258  .0312 -.0133  .0048 -.0078
Oh1    .1728 -.03980  .4960  .0183  .0182  .0207  .0161 -.0005  .0005  .0020
Oh2   -.1747  .03809 -.0024  .0171  .0171  .0152  .0191 -.0006  .0015  .0011
Oh3    .6209 -.04455  .2568  .0188  .0170  .0208  .0186  .0012  .0003 -.0020
Ow1    .8296     .25  .1827  .0307   .034   .015   .044      0   .008      0
Ow2    .4391     .25  .7900  .0336   .045   .028   .027      0   .005      0
Ow3    .9092  .32653  .6148  .0310   .029  .0369  .0271 -.0037 -.0001 -.0063
H1      .179   -.070   .483   .045
H2     -.180    .072   .003   .045
H3      .566   -.075   .246   .045
H4      .889    .277   .166   .045
H5      .467    .275   .874   .045
H6      .039    .327   .540   .045
H7      .953    .332   .750   .045
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Ancylite-(La)
Download hom/ancylitela.pdf
Petersen O V, Niedermayr G, Gault R A, Brandstatter F, Micheelsen H I, Giester G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 493-504
Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland
Locality: Ilimaussaq alkaline complex, South Greenland
_database_code_amcsd 0014913
5.044 8.541 7.292 90 90 90 Pmcn
atom     x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
SrM    .25 .34134 .64817  .31 .01080 .00997 .01079 .01163       0      0 -.00043
CaM    .25 .34134 .64817  .05 .01080 .00997 .01079 .01163       0      0 -.00043
LaM    .25 .34134 .64817  .27 .01080 .00997 .01079 .01163       0      0 -.00043
NdM    .25 .34134 .64817 .205 .01080 .00997 .01079 .01163       0      0 -.00043
PrM    .25 .34134 .64817  .07 .01080 .00997 .01079 .01163       0      0 -.00043
CeM    .25 .34134 .64817  .04 .01080 .00997 .01079 .01163       0      0 -.00043
SmM    .25 .34134 .64817  .01 .01080 .00997 .01079 .01163       0      0 -.00043
C      .75  .1918   .813       .0119  .0118  .0127  .0111       0      0   .0016
O1     .75  .3213  .7258       .0233  .0190  .0180   .033       0      0   .0119
O2   .5291  .1238  .8519       .0182  .0135  .0195  .0217  -.0019  .0014   .0019
Wat    .25  .4151  .9771   .5  .0313   .041   .036   .016       0      0   .0053
OH     .25  .4151  .9771 .425  .0313   .041   .036   .016       0      0   .0053
F      .25  .4151  .9771 .075  .0313   .041   .036   .016       0      0   .0053
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Bismutocolumbite
Download hom/bismutocolumbite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E,
Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Malkhan field, Central Transbaikalia, Russia
_database_code_amcsd 0014918
5.668 11.725 4.971 90 90 90 Pnna
atom     x     y     z occ  Uiso
Bi     .25    .5 .7803     .0184
Nb   .3488   .25   .25 .79 .0080
Ta   .3488   .25   .25 .21 .0080
O1   .1392 .3051 .5046     .0131
O2   .4143 .0979 .4124     .0092
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Stibiocolumbite
Download hom/stibiocolumbite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F,
Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Mesa Grande, California, USA
_database_code_amcsd 0014919
5.557 4.932 11.808 90 90 90 Pna2_1
atom      x       y       z occ  Uiso
Sb   .52369  .04914  .24729     .0093
Nb   .88867 -.00667 -.00157 .33 .0048
Ta   .88867 -.00667 -.00157 .67 .0048
O1    .3462   .3313   .1576     .0084
O2    .8242   .8352   .8477     .0081
O3    .0845   .7119   .0563     .0106
O4    .1290   .2270  -.0483     .0117
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Total number of retrieved datasets: 36
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