American Mineralogist Crystal Structure Database

55 matching records for this search.

Olenite
Download hom/olenite.pdf
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A
Download am/vol88/AM88_1369.pdf
American Mineralogist 88 (2003) 1369-1376
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
relations to synthetic solid solutions
Note: This sample may be named wrong
Sample BT
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003156
15.9466 15.9466 7.1384 90 90 120 R3m
atom      x      y      z   occ   Uiso
NaX       0      0    .25  .693  .0276
CaX       0      0    .25  .011  .0276
KX        0      0    .25  .002  .0276
AlY  .12442 .06221 -.3585  .412  .0113
Mn2Y .12442 .06221 -.3585  .411  .0113
Fe2Y .12442 .06221 -.3585  .007  .0113
LiY  .12442 .06221 -.3585  .126  .0113
AlZ  .29797 .26132 -.3702        .0065
SiT  .19196 .19011  .0178  .988 .00540
AlT  .19196 .19011  .0178  .012 .00540
B    .11005  .2201  .4707        .0103
O1        0      0 -.2007   .32   .046
F1        0      0 -.2007   .48   .046
OH1       0      0 -.2007   .25   .046
O2   .06171  .1234  .4976        .0226
O3    .2689 .13446 -.4716        .0121
O4   .09324  .1865  .0884        .0106
O5    .1874 .09368  .1111        .0097
O6   .19796 .18771 -.2072        .0093
O7   .28540 .28610  .0985        .0074
O8   .21028  .2711  .4591        .0099
H3     .268   .134   .439         .012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Olenite
Download hom/olenite.pdf
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A
Download am/vol88/AM88_1369.pdf
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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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: 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)
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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)
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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)
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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)
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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)
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View JMOL 3-D Structure (permalink)
 
Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
Download am/vol89/AM89_629.pdf
American Mineralogist 89 (2004) 629-632
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
spectroscopic investigations
_database_code_amcsd 0003527
9.3429 9.3429 6.8110 90 90 120 P6_3/m
atom      x      y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 -.00256 .72 .0131  .0137  .0137  .0118 .00683      0      0
Mn1     1/3    2/3 -.00256 .28 .0131  .0137  .0137  .0118 .00683      0      0
Ca2  .75861 .75194     .25 .96 .0124  .0139  .0124  .0115  .0069      0      0
Mn2  .75861 .75194     .25 .04 .0124  .0139  .0124  .0115  .0069      0      0
P    .60081 .97137     .25     .0095  .0091  .0079  .0117  .0043      0      0
O1    .6690 .15855     .25     .0159  .0202  .0086  .0190  .0074      0      0
O2    .4111  .8767     .25     .0288  .0096  .0138   .062  .0048      0      0
O3    .6591 .91763   .0701     .0274  .0537  .0246  .0156  .0284  .0142  .0066
F         0      0     .25     .0305  .0176  .0176   .056  .0088      0      0
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
Download am/vol89/AM89_629.pdf
American Mineralogist 89 (2004) 629-632
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
spectroscopic investigations
_database_code_amcsd 0003528
9.3429 9.3429 6.8110 90 90 120 P6_3/m
atom      x      y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 -.00256 .72 .0131  .0137  .0137  .0118 .00683      0      0
Mn1     1/3    2/3 -.00256 .28 .0131  .0137  .0137  .0118 .00683      0      0
Ca2  .75861 .75194     .25 .96 .0124  .0139  .0124  .0115  .0069      0      0
Mn2  .75861 .75194     .25 .04 .0124  .0139  .0124  .0115  .0069      0      0
P    .60081 .97137     .25     .0095  .0091  .0079  .0117  .0043      0      0
O1    .6690 .15855     .25     .0159  .0202  .0086  .0190  .0074      0      0
O2    .4111  .8767     .25     .0288  .0096  .0138   .062  .0048      0      0
O3    .6591 .91763   .0701     .0274  .0537  .0246  .0156  .0284  .0142  .0066
F         0      0     .25     .0305  .0176  .0176   .056  .0088      0      0
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View JMOL 3-D Structure (permalink)
 
Rossmanite
 
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
Download am/vol90/AM90_481.pdf
American Mineralogist 90 (2005) 481-487
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
Austria: Structure, chemistry, and infrared and optical spectroscopic study
Sample: REDT1
Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
Tourmaline
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003738
15.8031 15.8031 7.0877 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0    .25  .46  .0275
CaX       0      0    .25  .01  .0275
AlY  .12146 .06073 -.3362 .790 .00814
LiY  .12146 .06073 -.3362 .110 .00814
Mn2Y .12146 .06073 -.3362 .083 .00814
Fe2Y .12146 .06073 -.3362 .013 .00814
Ti4Y .12146 .06073 -.3362 .003 .00814
AlZ  .29651 .25999 -.3643      .00762
SiT  .19154 .18958  .0303 .912 .00598
BT   .19154 .18958  .0303 .042 .00598
AlT  .19154 .18958  .0303 .047 .00598
B    .10956 .21912  .4803       .0077
O1        0      0 -.2052  .86  .0149
OH1       0      0 -.2052  .10  .0149
F1        0      0 -.2052  .04  .0149
O2   .06065 .12131  .5205       .0130
O3   .25787 .12893 -.4636       .0126
O4   .09524 .19049  .1043       .0124
O5   .18806 .09403  .1258       .0127
O6   .19340 .18302 -.1974      .00945
O7   .28717 .28662  .1044      .00906
O8   .20959 .27052  .4649      .00910
H3     .251  .1256   .423  .95   .053
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View JMOL 3-D Structure (permalink)
 
Rossmanite
 
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
Download am/vol90/AM90_481.pdf
American Mineralogist 90 (2005) 481-487
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
Austria: Structure, chemistry, and infrared and optical spectroscopic study
Sample: REDT4
Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
Tourmaline
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003739
15.8171 15.8171 7.0935 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0    .25  .46  .0278
CaX       0      0    .25  .01  .0278
AlY  .12150 .06075 -.3364 .783  .0087
LiY  .12150 .06075 -.3364 .107  .0087
Mn2Y .12150 .06075 -.3364 .093  .0087
Fe2Y .12150 .06075 -.3364 .013  .0087
Ti4Y .12150 .06075 -.3364 .004  .0087
AlZ  .29652 .26001 -.3646      .00795
SiT  .19152 .18960  .0302 .918 .00585
AlT  .19152 .18960  .0302 .042 .00585
BT   .19152 .18960  .0302 .040 .00585
B    .10969 .21937  .4801       .0084
O1        0      0 -.2049  .86  .0148
OH1       0      0 -.2049  .10  .0148
F1        0      0 -.2049  .04  .0148
O2   .06064 .12128  .5202       .0134
O3   .25794 .12897 -.4638       .0128
O4   .09530 .19060  .1038       .0133
O5   .18804 .09402  .1252       .0138
O6   .19336 .18311 -.1976       .0101
O7   .28715 .28675  .1038       .0093
O8   .20954 .27049  .4646       .0098
H3     .246  .1231   .415 .933   .054
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View JMOL 3-D Structure (permalink)
 
Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47
 
London D, Ertl A, Hughes J M, Morgan VI G B, Fritz E A, Harms B S
Download am/vol91/AM91_680.pdf
American Mineralogist 91 (2006) 680-684
Synthetic Ag-rich tourmaline: Structure and chemistry
Note: Y(B) adjusted to satisfy symmetry constraint
_database_code_amcsd 0004143
15.8995 15.8995 7.1577 90 90 120 R3m
atom      x      y     z  occ   Uiso
NaX       0      0   .75  .58  .0186
AgX       0      0   .75  .18  .0186
AlY  .87520 .93760 .3440 .513  .0109
MgY  .87520 .93760 .3440 .487  .0109
AlZ  .70238 .73859 .3647  .89  .0063
MgZ  .70238 .73859 .3647  .11  .0063
Si   .80832 .81032 .9752 .983 .00571
Al   .80832 .81032 .9752 .017 .00571
B     .8903  .7806 .5220       .0083
OH1W      0      0 .2057  .53  .0114
F1W       0      0 .2057  .47  .0114
O2   .93904  .8781 .4877       .0123
O3V   .7365 .86825 .4655       .0115
O4   .90628  .8126 .9039       .0115
O5    .8145 .90727 .8815       .0112
O6   .80489 .81525 .2000       .0092
O7   .71404 .71441 .8975       .0086
O8   .78999 .72960 .5356       .0098
H3     .743   .871  .563        .008
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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)
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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)
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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
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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
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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
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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
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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 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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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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Olenite
Download hom/olenite.pdf
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
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Olenite
Download hom/olenite.pdf
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
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Olenite
Download hom/olenite.pdf
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
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Darrellhenryite
 
Novak M, Ertl A, Povondra P, Galiova M V, Rossman G R, Pristacz H, Prem M, Giester G, Gadas P, Skoda R
 
American Mineralogist 98 (2013) 1886-1892
Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup
Locality: Nova Ves near Cesky Krumlov, southern Bohemia, Moldanubian Zone, Czech Republic
_database_code_amcsd 0020016
15.809 15.809 7.0890 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  .7509 .561  .0199  .0212  .0212  .0175  .0106       0       0
AlY   .87800 .939002 .34846 .651 .00677  .0075 .00515  .0084 .00374 -.00232 -.00116
LiY   .87800 .939002 .34846 .349 .00677  .0075 .00515  .0084 .00374 -.00232 -.00116
AlZ  .703468 .740173 .37588      .00539 .00528 .00675 .00442 .00321  .00018  .00073
SiT  .808235 .810265 .98406      .00450 .00462 .00423 .00461 .00218 -.00016 -.00036
B     .89096  .78193 .53067      .00565  .0056  .0054  .0059  .0027 -.00001   .0000
O1         0       0  .2079  .66  .0252  .0318  .0318  .0120  .0159       0       0
F1         0       0  .2079  .34  .0252  .0318  .0318  .0120  .0159       0       0
O2    .93962  .87924 .49377      .01253  .0173  .0047  .0114 .00233  .00045   .0009
O3    .73727  .86864 .47722      .01241  .0264  .0108  .0052  .0132  -.0019 -.00093
O4    .90589  .81179 .91064      .00847  .0070  .0130  .0074 .00648 -.00047  -.0009
O5    .81242  .90621 .88830      .00912  .0148  .0074  .0076  .0074   .0014  .00070
O6    .80533  .81595 .21009      .00702  .0069  .0084  .0048 .00318  .00007 -.00066
O7    .71341  .71375 .90703      .00641  .0058  .0059  .0055 .00145  .00025 -.00102
O8    .79052  .72987 .54631      .00707  .0048  .0086  .0077 .00321  .00082  .00302
H3      .740   .8700   .600        .051
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Oxy-schorl
 
Ertl A, Marschall H, Geister G, Henry D, Schertl H P,
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E
Download am/vol95/AM95_1.pdf
American Mineralogist 95 (2010) 1-10
Metamorphic ultrahigh-pressure tourmaline: structure,
chemistry, and correlations to P-T conditions
Locality: Saxonian Erzegebirge, Germany
_database_code_amcsd 0004995
15.929 15.929 7.183 90 90 120 R3m
atom      x      y       z  occ   Uiso
NaX       0      0   .2250  .86  .0219
CaX       0      0   .2250  .02  .0219
KX        0      0   .2250  .02  .0219
AlY  .12241 .06121  .63418 .543 .00765
FeY  .12241 .06121  .63418 .410 .00765
TiY  .12241 .06121  .63418 .037 .00765
MgY  .12241 .06121  .63418 .010 .00765
ZnY  .12241 .06121  .63418 .003 .00765
AlZ  .29781 .26128  .60853 .842 .00541
MgZ  .29781 .26128  .60853 .158 .00541
SiT  .19157 .18968 -.00115  .99 .00525
AlT  .19157 .18968 -.00115  .01 .00525
B    .10999 .21998   .4526       .0068
O1        0      0   .7708  .81  .0224
OH1       0      0   .7708  .09  .0224
F1        0      0   .7708  .10  .0224
O2   .06101 .12202  .48628       .0130
O3   .26269 .13135  .50873       .0158
H3     .252   .126    .397        .042
O4   .09338 .18676  .07027      .01067
O5   .18558 .09279  .09176      .01051
O6   .19525 .18501  .77532      .00927
O7   .28521 .28528  .07611      .00885
O8   .20931 .27011  .43816      .01020
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Dravite
Download hom/dravite.pdf
Ertl A, Marschall H, Geister G, Henry D, Schertl H P,
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E
Download am/vol95/AM95_1.pdf
American Mineralogist 95 (2010) 1-10
Metamorphic ultrahigh-pressure tourmaline: structure,
chemistry, and correlations to P-T conditions
Locality: Parigi, Dora Maira, Western Alps, Italy
_database_code_amcsd 0004996
15.935 15.935 7.201 90 90 120 R3m
atom      x      y       z  occ   Uiso
NaX       0      0   .2396  .90  .0214
CaX       0      0   .2396  .05  .0214
KX        0      0   .2396  .01  .0214
MgY  .12571 .06286  .63044 .593  .0081
AlY  .12571 .06286  .63044 .330  .0081
FeY  .12571 .06286  .63044 .040  .0081
TiY  .12571 .06286  .63044 .010  .0081
AlZ  .29806 .26164  .61163  .85 .00622
MgZ  .29806 .26164  .61163  .15 .00622
SiT  .19191 .19000 -.00089      .00548
B    .10979 .21958   .4546       .0069
OH1       0      0   .7720  .72  .0144
F1        0      0   .7720  .28  .0144
O2   .06094 .12188   .4848       .0111
O3   .26529 .13265   .5106       .0127
H3     .259   .130    .400        .049
O4   .09305  .1861   .0694       .0107
O5   .18401   .092   .0909       .0106
O6   .19604 .18586  .77669      .00877
O7   .28501 .28490  .07900      .00867
O8   .20952 .27018  .44103      .00961
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Dravite
Download hom/dravite.pdf
Ertl A, Marschall H, Geister G, Henry D, Schertl H P,
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E
Download am/vol95/AM95_1.pdf
American Mineralogist 95 (2010) 1-10
Metamorphic ultrahigh-pressure tourmaline: structure,
chemistry, and correlations to P-T conditions
Locality: Lago di Cignana, Western Alps, Italy
_database_code_amcsd 0004997
15.945 15.945 7.210 90 90 120 R3m
atom      x      y       z  occ   Uiso
NaX       0      0   .2325  .84  .0204
CaX       0      0   .2325  .09  .0204
KX        0      0   .2325  .01  .0204
MgY  .12426 .06213  .63250 .547 .00810
AlY  .12426 .06213  .63250 .263 .00810
FeY  .12426 .06213  .63250 .160 .00810
MnY  .12426 .06213  .63250 .020 .00810
TiY  .12426 .06213  .63250 .007 .00810
NiY  .12426 .06213  .63250 .007 .00810
ZnY  .12426 .06213  .63250 .003 .00810
AlZ  .29802 .26159  .61070 .833 .00545
MgZ  .29802 .26159  .61070 .167 .00545
SiT  .19175 .18990 -.00135 .997 .00520
AlT  .19175 .18990 -.00135 .003 .00520
B    .10987 .21974   .4536       .0065
OH1       0      0   .7712  .65  .0135
F1        0      0   .7712  .35  .0135
O2   .06106 .12212  .48347      .01023
O3   .26510 .13255  .50989       .0125
H3     .256   .128    .400        .045
O4   .09310  .1862  .06931      .01017
O5   .18433 .09217  .09025      .01010
O6   .19581 .18592  .77662      .00840
O7   .28489 .28483  .07811      .00850
O8   .20927 .27006  .44018      .00962
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Olenite
Download hom/olenite.pdf
Hughes J M, Ertl A, Dyar M D, Grew E S, Shearer C K, Yates M G, Guidotti C V
Download cm/vol38/CM38_861.pdf
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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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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Olenite
Download hom/olenite.pdf
Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J
Download cm/vol42/CM42_1057.pdf
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
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Olenite
Download hom/olenite.pdf
Cempirek J, Novak M, Ertl A, Hughes J M, Rossman G R, Dyar D
Download cm/vol44/CM44_23.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dravite
Download hom/dravite.pdf
Hughes J M, Rakovan J, Ertl A, Rossman G R, Baksheev I, Bernhardt H-J
 
The Canadian Mineralogist 49 (2011) 29-40
Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned
triclinic Ni-bearing dravite
Locality: Berezovskoe gold deposit, Middle Urals, Russia
_database_code_amcsd 0018457
15.903 15.9118 7.2304 90.063 89.793 119.742 P1
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      0     0    .25  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .8575 .5240  .3510      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .6633 .5231  .3490      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .4768 .3355  .3508      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .8564 .3355  .3542      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .6634 .1423  .3543      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .4762 .1422  .3527      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .6049 .3939 -.0125 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .6049 .3939 -.0125 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .6049 .3939 -.0125 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .7891 .3944 -.0098 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .7891 .3944 -.0098 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .7891 .3944 -.0098 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .7891 .3944 -.0098 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .6043 .2097 -.0088 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .6043 .2097 -.0088 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .6043 .2097 -.0088 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .6043 .2097 -.0088 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .6305 .7026  .2960 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .6305 .7026  .2960 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .9632 .7024  .6287 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .9632 .7024  .6287 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .9632 .7024  .6287 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .0715 .7027  .2956 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .0715 .7027  .2956 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .0715 .7027  .2956 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .7381 .7022  .6284 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .7381 .7022  .6284 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .7381 .7022  .6284 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .7381 .7022  .6284 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .7381 .7022  .6284 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .9629 .2613  .6289 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .9629 .2613  .6289 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .9629 .2613  .6289 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .9643 .5948 -.0380 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .9643 .5948 -.0380 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .9643 .5948 -.0380 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .7805 .8905  .4686      .0082   .009   .010   .008   .006   .002   .003
B2   .7752 .5522 -.1934      .0075   .006   .009   .007   .004   .002   .002
B3   .1099 .8892  .4754      .0081   .006   .006   .010   .001   .003   .005
O1a  .6653 .3307  .1192      .0127   .013   .014   .013   .008   .001  -.001
O2a  .5448 .2700 -.1586      .0010   .006   .011   .010   .003   .002   .003
O2b  .7259 .2699 -.1543      .0100   .010   .012   .011   .008   .001   .003
O2c  .7278 .4539 -.1604      .0099   .009   .007   .012   .003   .002  -.000
O3a  .5351 .4637 -.1352      .0125   .014   .012   .003   .000   .001   .001
H3a   .529  .453  -.229        .00
O3b  .8763 .7469  .5287      .0148   .017   .026   .005   .013   .001  -.000
H3b   .874  .744    .45        .02
O3c  .9251 .4605 -.1374      .0138   .029   .020   .003   .020   .000   .001
H3c   .926  .460  -.251        .05
O4a  .7604 .5238  .4208      .0100   .005   .016   .011   .007   .001   .000
O4b  .4790 .2406  .4255      .0114   .021   .007   .011   .011   .004   .004
O4c  .7567 .2427  .4238      .0111   .006   .008   .010  -.003   .002   .003
O5a  .5747 .4248  .4424      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .5714 .1463  .4485      .0093   .008   .015   .009   .009   .001   .003
O5c  .8500 .4268  .4448      .0093   .013   .007   .011   .007   .002   .002
O6a  .8593 .5164  .1291      .0110   .014   .015   .007   .009   .000  -.001
O6b  .6548 .5166  .1270      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .6554 .1393  .1324      .0089   .011   .012   .005   .007  -.001   .003
O6d  .8617 .3445  .1315       .007   .009   .009   .004   .005   .002   .003
O6e  .4813 .3429  .1281      .0085   .008   .009   .008   .004   .002   .003
O6f  .4853 .1433  .1326      .0098   .011   .011   .008   .006   .005   .003
O7a  .6611 .6166  .4212      .0102   .014   .008   .011   .007   .002   .001
O7b  .9524 .6191  .4257      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .6685 .0509  .4318      .0088   .010   .008   .011   .006   .004   .007
O7d  .3797 .0487  .4263      .0072   .005   .007   .009   .003   .002   .002
O7e  .3823 .3351  .4271      .0107   .004   .014   .014   .005   .003  -.001
O7f  .9468 .3308  .4354      .0103   .011   .014   .010   .009  -.003   .001
O8a  .8742 .6019 -.2133      .0123   .007   .012   .020   .006   .006   .006
O8b  .0620 .7907  .4573      .0100   .007   .008   .012   .001   .003  -.003
O8c  .2088 .9398  .4606      .0084   .007   .005   .010   .001   .003  -.001
O8d  .7297 .7924  .4452      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .0652 .6082  .1286      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .0591 .2678  .4669      .0107   .009   .009   .015  .0054  .0032  .0038
Na1  .3333 .6667  .9167  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .1908 .1907  .0177      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .9966 .1898  .0157      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .8101 .0022  .0175      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .1897 .0022  .0209      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .9967 .8090  .0210      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .8095 .8089  .0194      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .9382 .0606  .6542 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .9382 .0606  .6542 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .9382 .0606  .6542 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .1224 .0611  .6569 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .1224 .0611  .6569 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .1224 .0611  .6569 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .1224 .0611  .6569 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .9376 .8764  .6579 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .9376 .8764  .6579 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .9376 .8764  .6579 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .9376 .8764  .6579 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .9638 .3693  .9627 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .9638 .3693  .9627 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .2965 .3691  .2954 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .2965 .3691  .2954 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .2965 .3691  .2954 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .4048 .3694  .9623 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .4048 .3694  .9623 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .4048 .3694  .9623 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .0714 .3689  .2951 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .0714 .3689  .2951 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .0714 .3689  .2951 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .0714 .3689  .2951 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .0714 .3689  .2951 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .2962 .9280  .2956 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .2962 .9280  .2956 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .2962 .9280  .2956 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .2976 .2615  .6287 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .2976 .2615  .6287 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .2976 .2615  .6287 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .1138 .5572  .1353      .0082   .009   .010   .008   .006   .002   .003
B2   .1085 .2189  .4733      .0075   .006   .009   .007   .004   .002   .002
B3   .4432 .5559  .1421      .0081   .006   .006   .010   .001   .003   .005
O1a  .9986 .9974  .7859      .0127   .013   .014   .013   .008   .001  -.001
O2a  .8781 .9367  .5081      .0010   .006   .011   .010   .003   .002   .003
O2b  .0592 .9366  .5124      .0100   .010   .012   .011   .008   .001   .003
O2c  .0611 .1206  .5063      .0099   .009   .007   .012   .003   .002  -.000
O3a  .8684 .1304  .5315      .0125   .014   .012   .003   .000   .001   .001
H3a  .8623 .1197  .4377        .00
O3b  .2096 .4136  .1954      .0148   .017   .026   .005   .013   .001  -.000
H3b  .2073 .4107  .1167        .02
O3c  .2584 .1272  .5293      .0138   .029   .020   .003   .020   .000   .001
H3c  .2593 .1267  .4157        .05
O4a  .0937 .1905  .0875      .0100   .005   .016   .011   .007   .001   .000
O4b  .8123 .9073  .0922      .0114   .021   .007   .011   .011   .004   .004
O4c  .0900 .9094  .0905      .0111   .006   .008   .010  -.003   .002   .003
O5a  .9080 .0915  .1091      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .9047 .8130  .1152      .0093   .008   .015   .009   .009   .001   .003
O5c  .1833 .0935  .1115      .0093   .013   .007   .011   .007   .002   .002
O6a  .1926 .1831  .7958      .0110   .014   .015   .007   .009   .000  -.001
O6b  .9881 .1833  .7937      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .9887 .8060  .7991      .0089   .011   .012   .005   .007  -.001   .003
O6d  .1950 .0112  .7982       .007   .009   .009   .004   .005   .002   .003
O6e  .8146 .0096  .7948      .0085   .008   .009   .008   .004   .002   .003
O6f  .8186 .8100  .7993      .0098   .011   .011   .008   .006   .005   .003
O7a  .9944 .2833  .0879      .0102   .014   .008   .011   .007   .002   .001
O7b  .2857 .2858  .0924      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .0018 .7176  .0985      .0088   .010   .008   .011   .006   .004   .007
O7d  .7130 .7154  .0930      .0072   .005   .007   .009   .003   .002   .002
O7e  .7156 .0018  .0938      .0107   .004   .014   .014   .005   .003  -.001
O7f  .2801 .9975  .1021      .0103   .011   .014   .010   .009  -.003   .001
O8a  .2075 .2686  .4534      .0123   .007   .012   .020   .006   .006   .006
O8b  .3953 .4574  .1240      .0100   .007   .008   .012   .001   .003  -.003
O8c  .5421 .6065  .1273      .0084   .007   .005   .010   .001   .003  -.001
O8d  .0630 .4591  .1119      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .3985 .2749  .7953      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .3924 .9345  .1336      .0107   .009   .009   .015  .0054  .0032  .0038
Na1  .6667 .3333  .5833  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .5242 .8573  .6843      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .3300 .8564  .6823      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .1435 .6688  .6841      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .5231 .6688  .6875      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .3301 .4756  .6876      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .1429 .4755  .6860      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .2716 .7272  .3208 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .2716 .7272  .3208 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .2716 .7272  .3208 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .4558 .7277  .3235 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .4558 .7277  .3235 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .4558 .7277  .3235 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .4558 .7277  .3235 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .2710 .5430  .3245 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .2710 .5430  .3245 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .2710 .5430  .3245 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .2710 .5430  .3245 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .2972 .0359  .6293 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .2972 .0359  .6293 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .6299 .0357  .9620 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .6299 .0357  .9620 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .6299 .0357  .9620 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .7382 .0360  .6289 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .7382 .0360  .6289 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .7382 .0360  .6289 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .4048 .0355  .9617 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .4048 .0355  .9617 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .4048 .0355  .9617 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .4048 .0355  .9617 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .4048 .0355  .9617 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .6296 .5946  .9622 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .6296 .5946  .9622 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .6296 .5946  .9622 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .6310 .9281  .2953 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .6310 .9281  .2953 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .6310 .9281  .2953 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .4472 .2238  .8019      .0082   .009   .010   .008   .006   .002   .003
B2   .4419 .8855  .1399      .0075   .006   .009   .007   .004   .002   .002
B3   .7766 .2225  .8087      .0081   .006   .006   .010   .001   .003   .005
O1a  .3320 .6640  .4525      .0127   .013   .014   .013   .008   .001  -.001
O2a  .2115 .6033  .1747      .0010   .006   .011   .010   .003   .002   .003
O2b  .3926 .6032  .1790      .0100   .010   .012   .011   .008   .001   .003
O2c  .3945 .7872  .1729      .0099   .009   .007   .012   .003   .002  -.000
O3a  .2018 .7970  .1981      .0125   .014   .012   .003   .000   .001   .001
H3a  .1957 .7863  .1043        .00
O3b  .5430 .0802  .8620      .0148   .017   .026   .005   .013   .001  -.000
H3b  .5407 .0773  .7833        .02
O3c  .5918 .7938  .1959      .0138   .029   .020   .003   .020   .000   .001
H3c  .5927 .7933  .0823        .05
O4a  .4271 .8571  .7541      .0100   .005   .016   .011   .007   .001   .000
O4b  .1457 .5739  .7588      .0114   .021   .007   .011   .011   .004   .004
O4c  .4234 .5760  .7571      .0111   .006   .008   .010  -.003   .002   .003
O5a  .2414 .7581  .7757      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .2381 .4796  .7818      .0093   .008   .015   .009   .009   .001   .003
O5c  .5167 .7601  .7781      .0093   .013   .007   .011   .007   .002   .002
O6a  .5260 .8497  .4624      .0110   .014   .015   .007   .009   .000  -.001
O6b  .3215 .8499  .4603      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .3221 .4726  .4657      .0089   .011   .012   .005   .007  -.001   .003
O6d  .5284 .6778  .4648       .007   .009   .009   .004   .005   .002   .003
O6e  .1480 .6762  .4614      .0085   .008   .009   .008   .004   .002   .003
O6f  .1520 .4766  .4659      .0098   .011   .011   .008   .006   .005   .003
O7a  .3278 .9499  .7545      .0102   .014   .008   .011   .007   .002   .001
O7b  .6191 .9524  .7590      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .3352 .3842  .7651      .0088   .010   .008   .011   .006   .004   .007
O7d  .0464 .3820  .7596      .0072   .005   .007   .009   .003   .002   .002
O7e  .0490 .6684  .7604      .0107   .004   .014   .014   .005   .003  -.001
O7f  .6135 .6641  .7687      .0103   .011   .014   .010   .009  -.003   .001
O8a  .5409 .9352  .1200      .0123   .007   .012   .020   .006   .006   .006
O8b  .7287 .1240  .7906      .0100   .007   .008   .012   .001   .003  -.003
O8c  .8755 .2731  .7939      .0084   .007   .005   .010   .001   .003  -.001
O8d  .3964 .1257  .7785      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .7319 .9415  .4619      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .7258 .6011  .8002      .0107   .009   .009   .015  .0054  .0032  .0038
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Dravite
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Bacik P, Uher P, Ertl A, Jonsson E, Nysten P, Kanicky V, Vaculovic T
 
The Canadian Mineralogist 50 (2012) 825-841
Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen
Province, Sweden: An EMPA, XRD and LA-ICP-MS study
Sample: TSW an3 (rim)
Locality: Forshammar Bergslagen Province, Sweden
_database_code_amcsd 0019716
15.921 15.921 7.175 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  .23065 .711  .0193  .0191  .0191  .0197  .0096       0       0
CaX        0       0  .23065 .050  .0193  .0191  .0191  .0197  .0096       0       0
KX         0       0  .23065 .010  .0193  .0191  .0191  .0197  .0096       0       0
FeY   .12439 .062194  .63110 .077 .00718 .00682 .00470 .01074 .00341 -.00344 -.00172
MgY   .12439 .062194  .63110 .923 .00718 .00682 .00470 .01074 .00341 -.00344 -.00172
AlZ  .297710 .261395  .61062      .00540 .00528 .00555 .00533 .00267 -.00007  .00038
SiT  .191761 .189806 -.00040      .00469 .00462 .00423 .00521 .00220 -.00044 -.00060
B     .10976  .21953  .45395      .00598  .0052  .0057  .0071 .00286  .00034   .0007
O1         0       0   .7716 .542  .0111  .0131  .0131  .0071 .00655       0       0
OH1        0       0   .7716 .420  .0111  .0131  .0131  .0071 .00655       0       0
F1         0       0   .7716 .038  .0111  .0131  .0131  .0071 .00655       0       0
O2    .06098  .12196  .48629      .01097  .0126  .0050  .0127 .00252  .00010   .0002
O3    .26378  .13189  .50948      .01269  .0246  .0120  .0057  .0123   .0002  .00008
O4    .09353  .18707  .07046      .00963 .00715  .0145  .0097 .00727 -.00075  -.0015
O5    .18512  .09256  .09237      .00968  .0150 .00726  .0093 .00750   .0018  .00088
O6    .19549  .18515  .77620      .00792  .0093  .0098 .00527 .00521 -.00083 -.00128
O7    .28536  .28518  .07831      .00766 .00649 .00625 .00760 .00121 -.00103 -.00101
O8    .20954  .27033  .43993      .00851 .00467  .0090  .0118 .00336  .00093  .00257
H3     .2592   .1296    .402        .034
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Olenite
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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
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Olenite
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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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Dravite
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Marschall H R, Ertl A, Hughes J M, McCammon C A
 
European Journal of Mineralogy 16 (2004) 817-823
Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron,
associated with omphacite, from Syros, Greece: chemistry and structure
Sample: SY309B
Locality: Syros, Greece
_database_code_amcsd 0007080
15.9443 15.9443 7.2094 90 90 120 R3m
atom       x       y      z occ  Uiso
NaX        0       0    .25 .96 .0245
CaX        0       0    .25 .02 .0245
MgY   .12515 .062575 -.3614 .43 .0112
AlY   .12515 .062575 -.3614 .33 .0112
Fe2+Y .12515 .062575 -.3614 .15 .0112
Fe3+Y .12515 .062575 -.3614 .06 .0112
TiY   .12515 .062575 -.3614 .02 .0112
AlZ   .29829  .26178 -.3812 .82 .0077
MgZ   .29829  .26178 -.3812 .18 .0077
SiT   .19184  .18997  .0060 .97 .0057
BT    .19184  .18997  .0060 .03 .0057
B     .11005  .22010  .4618     .0091
OH1        0       0 -.2196 .93 .0162
F1         0       0 -.2196 .07 .0162
O2    .06101  .12202  .4917     .0141
O3     .2654   .1327 -.4816     .0140
O4    .09298  .18596  .0755     .0124
O5     .1840   .0920  .0966     .0126
O6    .19632  .18627 -.2160     .0108
O7    .28478  .28470  .0860     .0105
O8    .20952  .27031  .4477     .0119
H3      .266    .133   .389       .02
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Rancieite
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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
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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
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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, Kolitsch U, Prowatke S, Dyar M D, Henry D J
 
European Journal of Mineralogy 18 (2006) 583-588
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal
structure and chemistry
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy
_database_code_amcsd 0007165
15.997 15.997 7.179 90 90 120 R3m
atom       x       y      z occ   Uiso
NaX        0       0  .2295 .78  .0243
KX         0       0  .2295 .01  .0243
Fe2+Y .12643 .063214 .62633 .63 .00763
AlY   .12643 .063214 .62633 .19 .00763
Fe3+Y .12643 .063214 .62633 .04 .00763
Mn2+Y .12643 .063214 .62633 .04 .00763
Ti4+Y .12643 .063214 .62633 .01 .00763
MgY   .12643 .063214 .62633 .01 .00763
ZnY   .12643 .063214 .62633 .01 .00763
AlZ   .29899  .26186 .61246 .96 .00545
FeZ   .29899  .26186 .61246 .04 .00545
SiT   .19174  .18983 .00079 .98 .00480
AlT   .19174  .18983 .00079 .02 .00480
B     .11013  .22027  .4567      .0066
O2    .06163  .12325 .48601      .0146
Oh3V  .26992  .13496 .51180      .0125
FW         0       0  .7848 .76  .0408
OHW        0       0  .7848 .24  .0408
O4    .09295  .18590 .06917      .0091
O5    .18634  .09317 .09123     .00924
O6    .19797  .18804 .77760     .00828
O7    .28469  .28525 .08089     .00796
O8    .20979  .27035 .44298     .00962
H       .255   .1276   .385       .049
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Fluor-schorl
 
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J
 
European Journal of Mineralogy 18 (2006) 583-588
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal
structure and chemistry
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy
_database_code_amcsd 0007165
15.997 15.997 7.179 90 90 120 R3m
atom       x       y      z occ   Uiso
NaX        0       0  .2295 .78  .0243
KX         0       0  .2295 .01  .0243
Fe2+Y .12643 .063214 .62633 .63 .00763
AlY   .12643 .063214 .62633 .19 .00763
Fe3+Y .12643 .063214 .62633 .04 .00763
Mn2+Y .12643 .063214 .62633 .04 .00763
Ti4+Y .12643 .063214 .62633 .01 .00763
MgY   .12643 .063214 .62633 .01 .00763
ZnY   .12643 .063214 .62633 .01 .00763
AlZ   .29899  .26186 .61246 .96 .00545
FeZ   .29899  .26186 .61246 .04 .00545
SiT   .19174  .18983 .00079 .98 .00480
AlT   .19174  .18983 .00079 .02 .00480
B     .11013  .22027  .4567      .0066
O2    .06163  .12325 .48601      .0146
Oh3V  .26992  .13496 .51180      .0125
FW         0       0  .7848 .76  .0408
OHW        0       0  .7848 .24  .0408
O4    .09295  .18590 .06917      .0091
O5    .18634  .09317 .09123     .00924
O6    .19797  .18804 .77760     .00828
O7    .28469  .28525 .08089     .00796
O8    .20979  .27035 .44298     .00962
H       .255   .1276   .385       .049
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View JMOL 3-D Structure (permalink)
 
Elbaite
Download hom/elbaite.pdf
Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M,
Lengauer C, Prem M
 
European Journal of Mineralogy 20 (2008) 881-888
Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship
to the pressure-temperature conditions of formation
Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar
Note: O5 and O6 z-coordinates changed to match reported bond lengths
_database_code_amcsd 0007264
15.777 15.777 7.086 90 90 120 R3m
atom      x      y       z  occ   Uiso
NaX       0      0   .2446  .53  .0225
CaX       0      0   .2446  .09  .0225
AlY  .12079 .06040 -.34151 .667 .00799
LiY  .12079 .06040 -.34151   .3 .00799
MnY  .12079 .06040 -.34151  .03 .00799
FeY  .12079 .06040 -.34151 .003 .00799
AlZ  .29673 .26008 -.37240      .00647
BT   .19141 .18948  .01964 .065 .00539
SiT  .19141 .18948  .01964 .935 .00539
B    .10901 .21802   .4727       .0063
O1        0      0  -.2045   .4  .0186
OH1       0      0  -.2045   .6  .0186
O2   .06021 .12042   .5106       .0130
O3   .26139 .13069 -.47306      .01174
O4   .09413 .18826  .09350      .00982
O5   .18697 .09348  .11479      .01015
O6   .19427 .18381 -.20587      .00768
O7   .28625 .28584  .09589      .00718
O8   .20953 .27006  .45705      .00766
H3     .256  .1282    .411        .045
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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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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
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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
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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
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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 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
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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 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
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Olenite
Download hom/olenite.pdf
Ertl A, Pertlik F, Bernhardt H J
 
Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3-10
Investigations on olenite with exess boron from Koralpe, Styria, Austria
Locality: Koralpe, Styria, Austria
_database_code_amcsd 0018673
15.7395 15.7395 7.0656 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  .7863  .42        .0240  .0240  .0205      0      0  .0120
CaX        0      0  .7863  .30        .0240  .0240  .0205      0      0  .0120
AlY   .72742 .45484 .69377 .798        .0090  .0098  .0127  .0020  .0010  .0049
LiY   .72742 .45484 .69377 .202        .0090  .0098  .0127  .0020  .0010  .0049
AlZ   .70336 .73949 .39367 .978        .0100  .0112  .0087  .0006 -.0008  .0054
LiZ   .70336 .73949 .39367 .022        .0100  .0112  .0087  .0006 -.0008  .0054
SiT   .80884 .81074 .00000 .873        .0096  .0089  .0086 -.0007  .0001  .0037
BT    .80884 .81074 .00000 .127        .0096  .0089  .0086 -.0007  .0001  .0037
B     .89097 .78193 .54964             .0097  .0094  .0103  .0047  .0003  .0006
O1         0      0  .2293             .0172  .0172  .0147  .0086      0      0
O2    .94018 .88036 .50990             .0183  .0092  .0165  .0046 .00065  .0013
O3    .79598 .59197 .82810  .95        .0133  .0233  .0099 .01165 .00055  .0011
F3    .79598 .59197 .82810  .05        .0133  .0233  .0099 .01165 .00055  .0011
O4    .90602 .81204 .92518             .0151  .0197  .0136 .01985 .00115 -.0023
O5    .42632 .85264 .57106             .0157  .0227  .0128 .01135 .00025 -.0005
O6    .80684 .81726 .22691             .0107  .0111  .0101  .0043  .0004 -.0002
O7    .71337 .71409 .92579             .0110  .0110  .0106  .0042  .0012 -.0008
O8    .79067 .73015 .56501             .0090  .0126  .0116  .0053  .0010  .0032
H3      .794   .589   .956  .95 .0517
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Total number of retrieved datasets: 55
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