American Mineralogist Crystal Structure Database

45 matching records for this search.

Schorl
Download hom/schorl.pdf
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample 108749
Locality: Madagascar
_database_code_amcsd 0002238
15.939 15.939 7.146 90 90 120 R3m
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0    .25 .711 .00202 .00202  .0091  .00101       0        0
CaX       0      0    .25 .100 .00202 .00202  .0091  .00101       0        0
KX        0      0    .25 .043 .00202 .00202  .0091  .00101       0        0
FeY  .27140 .54280 .32225 .411 .00082 .00110 .00571  .00055 .000385   .00077
MgY  .27140 .54280 .32225 .136 .00082 .00110 .00571  .00055 .000385   .00077
AlY  .27140 .54280 .32225 .428 .00082 .00110 .00571  .00055 .000385   .00077
TiY  .27140 .54280 .32225 .016 .00082 .00110 .00571  .00055 .000385   .00077
VY   .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
LiY  .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
ZnY  .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
AlZ  .29802 .26158 .63386 .927 .00050 .00049 .00161 .000245 -.00007   .00004
MgZ  .29802 .26158 .63386 .073 .00050 .00049 .00161 .000245 -.00007   .00004
SiT  .19205 .19007 .02373 .972 .00055 .00052 .00218  .00027 -.00002 -.000115
AlT  .19205 .19007 .02373 .028 .00055 .00052 .00218  .00027 -.00002 -.000115
B    .10995 .21990  .4766      .00090  .0007  .0022  .00035  .00005    .0001
O1        0      0  .7984 .233  .0028  .0028  .0038   .0014       0        0
OH1       0      0  .7984 .465  .0028  .0028  .0038   .0014       0        0
F1        0      0  .7984 .302  .0028  .0028  .0038   .0014       0        0
O2   .06111 .12222  .5082      .00193 .00079  .0040 .000395  .00000   .00000
OH3   .2660  .1330  .5326      .00242 .00125  .0025  .00121  .00000   .00000
O4   .09313 .18626  .0940      .00095 .00175  .0039 .000885 -.00015   -.0003
O5    .1858  .0929  .1168      .00180 .00086  .0041  .00090  .00015    .0003
O6   .19696 .18640  .7984      .00099 .00119  .0025 .000545  -.0001   -.0002
O7   .28589 .28604  .1022      .00083 .00076  .0031 .000205  -.0001  -.00025
O8   .20956 .27008  .4632      .00074 .00105  .0040  .00049  .00005   .00045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample DLux1
Locality: Sebago Granite, North Windham, Oxford County, Maine, USA
_database_code_amcsd 0002239
15.963 15.963 7.154 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0   .25 .608  .0025  .0025  .0086  .00125       0        0
CaX       0      0   .25 .031  .0025  .0025  .0086  .00125       0        0
KX        0      0   .25 .030  .0025  .0025  .0086  .00125       0        0
FeY  .27084 .54168 .3124 .588 .00006 .00019  .0052 .000095  .00026   .00052
MnY  .27084 .54168 .3124 .005 .00006 .00019  .0052 .000095  .00026   .00052
AlY  .27084 .54168 .3124 .368 .00006 .00019  .0052 .000095  .00026   .00052
TiY  .27084 .54168 .3124 .027 .00006 .00019  .0052 .000095  .00026   .00052
LiY  .27084 .54168 .3124 .007 .00006 .00019  .0052 .000095  .00026   .00052
AlZ  .29845 .26173 .6288 .912 .00020 .00032  .0016  .00010 -.00008    .0001
MgZ  .29845 .26173 .6288 .088 .00020 .00032  .0016  .00010 -.00008    .0001
SiT  .19187 .18987 .0179      .00074 .00072  .0025 .000355 -.00005 -.000105
B     .1103  .2206 .4716       .0010  .0013  .0032  .00065   .0002    .0004
O1        0      0 .7972 .445  .0035  .0035  .0032  .00175       0        0
F1        0      0 .7972 .355  .0035  .0035  .0032  .00175       0        0
OH1       0      0 .7972 .200  .0035  .0035  .0032  .00175       0        0
O2    .0617  .1234 .5035       .0024  .0011  .0044  .00055   .0003    .0006
OH3   .2681 .13405 .5275       .0023  .0015  .0032  .00115   .0003   .00015
O4    .0928  .1856 .0864      .00099  .0019  .0043  .00095  -.0002   -.0004
O5    .1866  .0933 .1081       .0017 .00086  .0042  .00085   .0004    .0002
O6    .1976  .1871 .7931      .00126 .00125  .0033  .00065 -.00005  -.00015
O7    .2852  .2860 .0969      .00092 .00087  .0039  .00022  -.0002   -.0002
O8    .2099  .2703 .4586      .00089 .00119  .0050 .000545   .0003    .0005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-dravite
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample LCW2356
Locality: Dunton mine, Newry, Oxford County, Maine, USA
_database_code_amcsd 0002240
15.915 15.915 7.187 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0   .25 .418 .00120 .00120  .0064  .00060       0        0
CaX       0      0   .25 .370 .00120 .00120  .0064  .00060       0        0
KX        0      0   .25 .027 .00120 .00120  .0064  .00060       0        0
MgY  .27110 .54220 .3196 .506 .00095 .00114  .0063  .00057 .000385   .00077
FeY  .27110 .54220 .3196 .183 .00095 .00114  .0063  .00057 .000385   .00077
AlY  .27110 .54220 .3196 .364 .00095 .00114  .0063  .00057 .000385   .00077
TiY  .27110 .54220 .3196 .012 .00095 .00114  .0063  .00057 .000385   .00077
VY   .27110 .54220 .3196 .003 .00095 .00114  .0063  .00057 .000385   .00077
LiY  .27110 .54220 .3196 .002 .00095 .00114  .0063  .00057 .000385   .00077
CrY  .27110 .54220 .3196 .003 .00095 .00114  .0063  .00057 .000385   .00077
AlZ  .29793 .26154 .6312 .830 .00053 .00056  .0021 .000265 -.00005        0
MgZ  .29793 .26154 .6312 .170 .00053 .00056  .0021 .000265 -.00005        0
SiT  .19192 .18999 .0193      .00056 .00053 .00223 .000265 .000025 -.000145
B     .1097  .2194 .4714       .0008  .0012  .0020   .0006 -.00015   -.0003
O1        0      0 .7933 .848  .0014  .0014  .0029   .0007       0        0
OH1       0      0 .7933 .018  .0014  .0014  .0029   .0007       0        0
F1        0      0 .7933 .134  .0014  .0014  .0029   .0007       0        0
O2    .0607  .1214 .5018       .0013  .0009  .0059  .00045  .00005    .0001
OH3   .2649 .13245 .5301       .0026  .0014  .0022   .0013  .00015  .000075
O4    .0928  .1856 .0908      .00090  .0017  .0037  .00085  -.0001   -.0002
O5    .1831 .09155 .1115       .0017 .00076  .0045  .00085  .00025  .000125
O6    .1958  .1857 .7965      .00105 .00107  .0026  .00059 -.00035  -.00025
O7    .2853  .2849 .0986      .00086 .00081  .0039 .000295 -.00025   -.0002
O8    .2091  .2696 .4599      .00063 .00088  .0049 .000355   .0001    .0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Schorl
Download hom/schorl.pdf
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample HP2-1
Locality: Harney Peak Granite, Custer County, South Dakota, USA
_database_code_amcsd 0002241
15.946 15.946 7.157 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
NaX       0      0   .25 .540  .0017  .0017  .0079  .00085       0       0
CaX       0      0   .25 .027  .0017  .0017  .0079  .00085       0       0
KX        0      0   .25 .025  .0017  .0017  .0079  .00085       0       0
FeY  .27130 .54260 .3159 .557 .00075 .00110 .00579  .00055  .00026  .00052
MgY  .27130 .54260 .3159 .026 .00075 .00110 .00579  .00055  .00026  .00052
MnY  .27130 .54260 .3159 .004 .00075 .00110 .00579  .00055  .00026  .00052
ZnY  .27130 .54260 .3159 .002 .00075 .00110 .00579  .00055  .00026  .00052
AlY  .27130 .54260 .3159 .399 .00075 .00110 .00579  .00055  .00026  .00052
TiY  .27130 .54260 .3159 .003 .00075 .00110 .00579  .00055  .00026  .00052
VY   .27130 .54260 .3159 .002 .00075 .00110 .00579  .00055  .00026  .00052
AlZ  .29822 .26160 .6299 .907 .00041 .00045 .00142 .000195 .000005  .00009
MgZ  .29822 .26160 .6299 .093 .00041 .00045 .00142 .000195 .000005  .00009
SiT  .19184 .18982 .0193      .00055 .00047 .00235 .000255 -.00008 -.00013
B     .1104  .2208 .4741       .0007  .0011  .0027  .00055   .0001   .0002
O1        0      0 .7957 .400  .0033  .0033  .0035  .00165       0       0
OH1       0      0 .7957 .396  .0033  .0033  .0035  .00165       0       0
F1        0      0 .7957 .204  .0033  .0033  .0035  .00165       0       0
O2   .06144 .12288 .5064       .0022  .0009  .0044  .00045   .0001   .0002
OH3   .2665 .13325 .5288       .0027 .00130  .0023  .00135   .0001  .00005
O4   .09323 .18646 .0880      .00082  .0015  .0041  .00075 -.00015  -.0003
O5    .1868  .0934 .1109       .0016 .00084  .0041   .0008  .00025 .000125
O6    .1968  .1864 .7949      .00120 .00122  .0023 .000635 -.00025  -.0002
O7    .2853  .2856 .0981      .00072 .00065  .0037  .00020 -.00015 -.00025
O8    .2099  .2703 .4597      .00084 .00121  .0049  .00065   .0001  .00035
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample O-T16-92
Locality: Bald Mountain, Rangeley, Oxford County, Maine
_database_code_amcsd 0002242
15.935 15.935 7.160 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
NaX       0      0   .25 .348  .0018  .0018  .0095   .0009       0       0
CaX       0      0   .25 .156  .0018  .0018  .0095   .0009       0       0
KX        0      0   .25 .015  .0018  .0018  .0095   .0009       0       0
Fe2Y .27167 .54334 .3250 .262 .00057 .00075  .0042 .000375  .00030  .00060
MgY  .27167 .54334 .3250 .219 .00057 .00075  .0042 .000375  .00030  .00060
MnY  .27167 .54334 .3250 .002 .00057 .00075  .0042 .000375  .00030  .00060
AlY  .27167 .54334 .3250 .406 .00057 .00075  .0042 .000375  .00030  .00060
Fe3Y .27167 .54334 .3250 .080 .00057 .00075  .0042 .000375  .00030  .00060
TiY  .27167 .54334 .3250 .023 .00057 .00075  .0042 .000375  .00030  .00060
VY   .27167 .54334 .3250 .002 .00057 .00075  .0042 .000375  .00030  .00060
CrY  .27167 .54334 .3250 .003 .00057 .00075  .0042 .000375  .00030  .00060
AlZ  .29798 .26150 .6368 .883 .00061 .00055  .0023  .00026 -.00005  .00005
MgZ  .29798 .26150 .6368 .117 .00061 .00055  .0023  .00026 -.00005  .00005
SiT  .19175 .18990 .0266      .00059 .00065 .00245  .00025 -.00005 -.00016
B     .1098  .2196 .4788       .0012  .0010  .0028   .0005  .00000  .00000
O1        0      0 .8024 .846  .0023  .0023   .007  .00115       0       0
OH1       0      0 .8024 .094  .0023  .0023   .007  .00115       0       0
F1        0      0 .8024 .060  .0023  .0023   .007  .00115       0       0
O2    .0615  .1230 .5118       .0016  .0011  .0056  .00055  .00055   .0001
OH3   .2646  .1323 .5360       .0029  .0013  .0035  .00145   .0001  .00005
O4    .0931  .1862 .0968       .0010  .0020  .0034   .0010   .0000  .00000
O5    .1860  .0930 .1191       .0016 .00078  .0045   .0008   .0003  .00015
O6    .1965  .1862 .8015      .00133 .00132  .0026  .00075 -.00015 -.00005
O7    .2853  .2855 .1048      .00083 .00081  .0042 .000235  -.0001  -.0001
O8    .2093  .2702 .4659      .00067 .00113  .0053  .00055 -.00015  .00045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-schorl
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample SmFalls
Locality: Small Falls pegmatite, Rumford, Oxford County, Maine, USA
_database_code_amcsd 0002243
15.934 15.934 7.167 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
NaX       0      0   .25 .684  .0024  .0024  .0096   .0012       0       0
CaX       0      0   .25 .016  .0024  .0024  .0096   .0012       0       0
KX        0      0   .25 .015  .0024  .0024  .0096   .0012       0       0
Fe2Y .27098 .54196 .3130 .307 .00053 .00070  .0039  .00035 .000295  .00059
MgY  .27098 .54196 .3130 .201 .00053 .00070  .0039  .00035 .000295  .00059
MnY  .27098 .54196 .3130 .006 .00053 .00070  .0039  .00035 .000295  .00059
AlY  .27098 .54196 .3130 .423 .00053 .00070  .0039  .00035 .000295  .00059
Fe3Y .27098 .54196 .3130 .042 .00053 .00070  .0039  .00035 .000295  .00059
TiY  .27098 .54196 .3130 .008 .00053 .00070  .0039  .00035 .000295  .00059
VY   .27098 .54196 .3130 .002 .00053 .00070  .0039  .00035 .000295  .00059
LiY  .27098 .54196 .3130 .002 .00053 .00070  .0039  .00035 .000295  .00059
AlZ  .29811 .26160 .6279 .883 .00060 .00059  .0022 .000295 -.00006  .00000
MgZ  .29811 .26160 .6279 .117 .00060 .00059  .0022 .000295 -.00006  .00000
SiT  .19185 .18983 .0170      .00066 .00066 .00249  .00032  .00001 -.00006
B     .1096  .2192 .4704       .0011  .0009  .0024  .00045  .00005   .0001
O1        0      0 .7915 .465  .0027  .0027  .0046  .00135       0       0
F1        0      0 .7915 .301  .0027  .0027  .0046  .00135       0       0
OH1       0      0 .7915 .234  .0027  .0027  .0046  .00135       0       0
O2    .0616  .1232 .5035       .0019  .0010  .0060   .0005   .0001   .0002
OH3   .2651 .13255 .5271       .0027 .00124  .0034  .00135  -.0002  -.0001
O4    .0931  .1862 .0863      .00083  .0018  .0047   .0009  .00005   .0001
O5    .1861 .09305 .1087       .0017 .00081  .0045  .00085  .00045 .000225
O6    .1967  .1862 .7925      .00126 .00128  .0029 .000725 -.00005 -.00025
O7    .2853  .2857 .0954      .00082 .00086  .0034  .00021  -.0002 -.00025
O8    .2097  .2701 .4572      .00076 .00130  .0054  .00065 -.00005  .00045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample Ru-T17-92
Locality: Noisy Brook gneiss, Roxbury, Oxford County, Maine, USA
_database_code_amcsd 0002244
15.935 15.935 7.164 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)   B(2,3)
NaX       0      0   .25 .533  .0018  .0018 .0070   .0009       0        0
CaX       0      0   .25 .017  .0018  .0018 .0070   .0009       0        0
KX        0      0   .25 .040  .0018  .0018 .0070   .0009       0        0
AlY  .27150 .54300 .3176 .418 .00080 .00103 .0056 .000515  .00029   .00058
Fe3Y .27150 .54300 .3176 .120 .00080 .00103 .0056 .000515  .00029   .00058
TiY  .27150 .54300 .3176 .028 .00080 .00103 .0056 .000515  .00029   .00058
VY   .27150 .54300 .3176 .005 .00080 .00103 .0056 .000515  .00029   .00058
Fe2Y .27150 .54300 .3176 .228 .00080 .00103 .0056 .000515  .00029   .00058
MgY  .27150 .54300 .3176 .198 .00080 .00103 .0056 .000515  .00029   .00058
AlZ  .29790 .26149 .6301 .892 .00056 .00046 .0020 .000245  -.0001  -.00005
MgZ  .29790 .26149 .6301 .108 .00056 .00046 .0020 .000245  -.0001  -.00005
SiT  .19178 .18978 .0198      .00056 .00054 .0022  .00025 -.00005   -.0001
B     .1103  .2206 .4733       .0011  .0009 .0016  .00045  .00015    .0003
O1        0      0 .7949 .853  .0025  .0025 .0050  .00125       0        0
OH1       0      0 .7949 .041  .0025  .0025 .0050  .00125       0        0
F1        0      0 .7949 .106  .0025  .0025 .0050  .00125       0        0
O2    .0615  .1230 .5078       .0018  .0007 .0044  .00035 -.00005   -.0001
OH3   .2645 .13225 .5281       .0026  .0012 .0034   .0013 -.00015 -.000075
O4    .0931  .1862 .0891       .0009  .0015 .0045  .00075  -.0001   -.0002
O5    .1865 .09325 .1120       .0014  .0007 .0048   .0007   .0003   .00015
O6    .1961  .1857 .7951      .00138 .00150 .0026  .00095 -.00025   -.0005
O7    .2849  .2854 .0978      .00078 .00080 .0040   .0002 -.00025  -.00055
O8    .2097  .2701 .4597      .00075 .00109 .0057  .00055  .00015    .0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-dravite
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample Ru-T18-92
Locality: Rumford, Oxford County, Maine, USA
_database_code_amcsd 0002245
15.945 15.945 7.169 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0   .25 .626  .0019  .0019  .0077  .00095       0        0
CaX       0      0   .25 .061  .0019  .0019  .0077  .00095       0        0
KX        0      0   .25 .031  .0019  .0019  .0077  .00095       0        0
MgY  .27103 .54206 .3151 .366 .00071 .00097  .0053 .000485  .00024   .00048
Fe2Y .27103 .54206 .3151 .176 .00071 .00097  .0053 .000485  .00024   .00048
AlY  .27103 .54206 .3151 .318 .00071 .00097  .0053 .000485  .00024   .00048
Fe3Y .27103 .54206 .3151 .087 .00071 .00097  .0053 .000485  .00024   .00048
TiY  .27103 .54206 .3151 .041 .00071 .00097  .0053 .000485  .00024   .00048
CrY  .27103 .54206 .3151 .002 .00071 .00097  .0053 .000485  .00024   .00048
VY   .27103 .54206 .3151 .003 .00071 .00097  .0053 .000485  .00024   .00048
LiY  .27103 .54206 .3151 .002 .00071 .00097  .0053 .000485  .00024   .00048
MnY  .27103 .54206 .3151 .002 .00071 .00097  .0053 .000485  .00024   .00048
AlZ  .29813 .26163 .6300 .894 .00059 .00052 .00231  .00026  .00000  .000055
MgZ  .29813 .26163 .6300 .106 .00059 .00052 .00231  .00026  .00000  .000055
SiT  .19181 .18982 .0188      .00062 .00054 .00250 .000275 -.00001 -.000145
B     .1102  .2204 .4733       .0009  .0008  .0027   .0004 -.00005   -.0001
O1        0      0 .7954 .669  .0018  .0018  .0050   .0009       0        0
F1        0      0 .7954 .331  .0018  .0018  .0050   .0009       0        0
O2   .06143 .12286 .5041      .00155  .0008  .0050   .0004   .0003    .0006
O3    .2660  .1330 .5283 .106  .0023 .00119  .0034  .00115  -.0002   -.0001
OH3   .2660  .1330 .5283 .894  .0023 .00119  .0034  .00115  -.0002   -.0001
O4    .0931  .1862 .0888      .00082  .0019  .0039  .00095   .0000    .0000
O5    .1859 .09295 .1106       .0016 .00065  .0045   .0008  .00015  .000075
O6    .1966  .1864 .7947      .00116 .00122  .0025  .00070  -.0003  -.00035
O7    .2851  .2854 .0979      .00085 .00069  .0036  .00024  -.0001  -.00025
O8    .2097  .2705 .4596      .00071 .00101  .0050  .00055 -.00015    .0003
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Fluor-dravite
 
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
Download am/vol84/AM84_922.pdf
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample #32008
Locality: Tait farm, Dungannon Township, Hastings County, Ontario, Canada
_database_code_amcsd 0002246
15.965 15.965 7.199 90 90 120 R3m
atom      x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0   .25 .471 .00120 .00120  .0045  .00060       0        0
CaX       0      0   .25 .368 .00120 .00120  .0045  .00060       0        0
KX        0      0   .25 .029 .00120 .00120  .0045  .00060       0        0
MgY  .27140 .54280 .3223 .460 .00077 .00104  .0048  .00052 .000395   .00079
Fe2Y .27140 .54280 .3223 .093 .00077 .00104  .0048  .00052 .000395   .00079
MnY  .27140 .54280 .3223 .004 .00077 .00104  .0048  .00052 .000395   .00079
Fe3Y .27140 .54280 .3223 .288 .00077 .00104  .0048  .00052 .000395   .00079
AlY  .27140 .54280 .3223 .117 .00077 .00104  .0048  .00052 .000395   .00079
TiY  .27140 .54280 .3223 .011 .00077 .00104  .0048  .00052 .000395   .00079
LiY  .27140 .54280 .3223 .006 .00077 .00104  .0048  .00052 .000395   .00079
AlZ  .29804 .26164 .6346 .848 .00044 .00040 .00175 .000225 -.00011 -.000025
MgZ  .29804 .26164 .6346 .152 .00044 .00040 .00175 .000225 -.00011 -.000025
SiT  .19175 .18997 .0223      .00054 .00056 .00243  .00025 -.00002 -.000105
B     .1102  .2204 .4745       .0009  .0008  .0025   .0004  .00005    .0001
F1        0      0 .8001 .495  .0011  .0011  .0051  .00055       0        0
OH1       0      0 .8001 .020  .0011  .0011  .0051  .00055       0        0
O1        0      0 .8001 .485  .0011  .0011  .0051  .00055       0        0
O2    .0609  .1218 .5005      .00108  .0009  .0051  .00045   .0001    .0002
OH3   .2678  .1339 .5338       .0019 .00114  .0028  .00095   .0001   .00005
O4    .0922  .1844 .0931      .00094  .0017  .0031  .00085 -.00015   -.0003
O5    .1835 .09175 .1133       .0017 .00064  .0041  .00085  .00045  .000225
O6    .1960  .1866 .7997      .00117 .00100  .0027  .00062  -.0001  -.00025
O7    .2847  .2846 .1027      .00084 .00090  .0039 .000215  -.0003   -.0002
O8    .2097  .2702 .4639      .00075 .00095  .0061 .000513  .00015    .0006
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Richterite
Download hom/richterite.pdf
Gunter M E, Dyar M D, Twamley B, Foit F F, Cornelius S
Download am/vol88/AM88_1970.pdf
American Mineralogist 88 (2003) 1970-1978
Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and
asbestiform amphiboles from Libby, Montana, U.S.A.
_database_code_amcsd 0003186
9.8787 18.024 5.2875 90 104.377 90 C2/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)
SiT(1) .2791 .0848 .2960 .995 .011   .015   .011   .008   .000   .005  -.001
AlT(1) .2791 .0848 .2960 .005 .011   .015   .011   .008   .000   .005  -.001
SiT(2) .2872 .1714 .8031 .995 .011   .015   .012   .007  -.001   .004   .000
AlT(2) .2872 .1714 .8031 .005 .011   .015   .012   .007  -.001   .004   .000
MgM(1)     0 .0886    .5  .99 .009   .013   .009   .005      0   .003      0
AlM(1)     0 .0886    .5  .01 .009   .013   .009   .005      0   .003      0
MgM(2)     0 .1796     0  .82 .010   .012   .011   .007      0   .004      0
FeM(2)     0 .1796     0  .18 .010   .012   .011   .007      0   .004      0
MgM(3)     0     0     0  .84 .020   .026   .020   .016      0   .007      0
FeM(3)     0     0     0  .16 .020   .026   .020   .016      0   .007      0
MnM(4)     0 .2772    .5  .02 .018   .024   .016   .018      0   .012      0
CaM(4)     0 .2772    .5  .56 .018   .024   .016   .018      0   .012      0
NaM(4)     0 .2772    .5  .42 .018   .024   .016   .018      0   .012      0
NaA        0    .5     0  .28 .105   .127   .058   .188      0   .147      0
KA         0    .5     0  .20 .105   .127   .058   .188      0   .147      0
O(1)   .1113 .0865 .2166      .013   .017   .013   .008  -.001   .004  -.001
O(2)   .1186 .1702 .7269      .014   .017   .015   .011  -.001   .005  -.001
O(3)   .1081     0 .7138      .014   .018   .016   .010      0   .006      0
O(4)   .3634 .2487 .7956      .015   .020   .015   .009  -.004   .005  -.001
O(5)   .3459 .1315 .0922      .015   .018   .018   .010   .000   .005   .004
O(6)   .3419 .1182 .5877      .014   .017   .015   .011  -.001   .004  -.002
O(7)   .3364     0 .2935      .016   .013   .016   .016      0   .004      0
H      .2148     0 .7750      .030
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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
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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
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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
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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
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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
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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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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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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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Foitite
Download hom/foitite.pdf
Francis C A, Dyar M D, Williams M L, Hughes J M
Download cm/vol37/CM37_1431.pdf
The Canadian Mineralogist 37 (1999) 1431-1438
The occurrence and crystal structure of foitite from a tungsten-bearing vein
at Copper Mountain, Taos County, New Mexico
Note: y-coordinate of H3 changed to x/2
Locality: Copper Mountain, Taos County, New Mexico
_database_code_amcsd 0005633
15.973 15.973 7.137 90 90 120 R3m
atom      x      y      z  occ Biso
NaX       0      0    .25 .414 2.25
CaX       0      0    .25 .002 2.25
KX        0      0    .25 .002 2.25
FeY  .27106 .54212 .31604  .55 .667
AlY  .27106 .54212 .31604  .41 .667
MgY  .27106 .54212 .31604  .04 .667
AlZ  .29835 .26163 .63370  .96 .524
FeZ  .29835 .26163 .63370  .01 .524
MgZ  .29835 .26163 .63370  .03 .524
SiT  .19193 .18989 .02340      .486
B     .1103  .2206  .4778  .96  .78
O1        0      0  .8037  .35 2.57
OH1       0      0  .8037  .54 2.57
F1        0      0  .8037  .11 2.57
O2   .06205 .12410  .5116      1.28
O3    .2676  .1338  .5318      1.03
H3     .272   .136   .408      1.42
O4   .09349 .18698  .0906       .88
O5    .1883 .09415  .1143       .84
O6   .19808 .18743  .7984       .78
O7   .28509 .28589  .1023       .72
O8   .21005 .27082  .4635       .81
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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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Lithiophilite
Download hom/lithiophilite.pdf
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D
Download cm/vol42/CM42_1105.pdf
The Canadian Mineralogist 42 (2004) 1105-1115
Structural variation in the lithiophilite-triphylite series
and other olivine-group structures
Note: sample Trip06
Locality: Bennett Quarry, Buckfield, Maine
_database_code_amcsd 0005976
4.7383 10.429 6.0923 90 90 90 Pbnm
atom      x      y     z  occ Biso
Li        0      0     0       1.7
Mn   .97154 .28163   .25 .933 .580
Fe   .97154 .28163   .25 .062 .580
P     .4091 .09238   .25       .52
O1    .7310  .0966   .25       .85
O2    .2115  .4558   .25       .78
O3    .2770  .1617 .0494       .79
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Lithiophilite
Download hom/lithiophilite.pdf
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D
Download cm/vol42/CM42_1105.pdf
The Canadian Mineralogist 42 (2004) 1105-1115
Structural variation in the lithiophilite-triphylite series
and other olivine-group structures
Sample: Trip27
Locality: Fillow Quarry, Branchville, Connecticut
_database_code_amcsd 0005977
4.7247 10.4084 6.0705 90 90 90 Pbnm
atom      x      y     z  occ Biso
Li        0      0     0      1.59
Mn   .97253 .28183   .25 .704 .558
Fe   .97253 .28183   .25 .265 .558
P     .4113 .09309   .25      .560
O1    .7343  .0968   .25       .85
O2    .2104  .4559   .25       .86
O3    .2787  .1625 .0487       .86
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Triphylite
Download hom/triphylite.pdf
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D
Download cm/vol42/CM42_1105.pdf
The Canadian Mineralogist 42 (2004) 1105-1115
Structural variation in the lithiophilite-triphylite series
and other olivine-group structures
Sample: Trip50
Locality: BB#7 Quarry, Norway, Maine
_database_code_amcsd 0005978
4.7138 10.3826 6.0499 90 90 90 Pbnm
atom      x      y     z  occ Biso
Li        0      0     0      1.50
Mn   .97362 .28199   .25 .497 .594
Fe   .97362 .28199   .25 .503 .594
P     .4138 .09364   .25       .65
O1    .7366  .0969   .25       .94
O2    .2089  .4562   .25       .92
O3    .2813  .1635 .0478       .97
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Triphylite
Download hom/triphylite.pdf
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D
Download cm/vol42/CM42_1105.pdf
The Canadian Mineralogist 42 (2004) 1105-1115
Structural variation in the lithiophilite-triphylite series
and other olivine-group structures
Sample: Trip79
Locality: Palermo #1 Quarry, Groton, New Hampshire
_database_code_amcsd 0005979
4.7006 10.341 6.0166 90 90 90 Pbnm
atom      x      y     z  occ Biso
Li        0      0     0       .78
Mn   .97463 .28200   .25 .201 .592
Mg   .97463 .28200   .25 .056 .592
Fe   .97463 .28200   .25 .753 .592
P     .4164 .09448   .25      .419
O1    .7402  .0970   .25       .73
O2    .2062  .4570   .25       .65
O3    .2836  .1649 .0472       .69
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Triphylite
Download hom/triphylite.pdf
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D
Download cm/vol42/CM42_1105.pdf
The Canadian Mineralogist 42 (2004) 1105-1115
Structural variation in the lithiophilite-triphylite series
and other olivine-group structures
Sample: Trip89
Locality: G.E. Smith Quarry, Newport, New Hampshire
_database_code_amcsd 0005980
4.6904 10.2855 5.9871 90 90 90 Pbnm
atom     x      y     z  occ Biso
Li       0      0     0      1.55
Mn   .9746 .28164   .25 .089 .593
Mg   .9746 .28164   .25 .234 .593
Fe   .9746 .28164   .25 .687 .593
P    .4169 .09476   .25       .59
O1   .7412  .0983   .25       .83
O2   .2055  .4560   .25       .81
O3   .2827  .1655 .0465       .84
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Pertlikite
 
Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C
Download cm/vol46/CM46_661.pdf
The Canadian Mineralogist 46 (2008) 661-669
Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran
Locality: Madeni Zakh, Iran
_database_code_amcsd 0006190
19.2080 19.2080 27.2158 90 90 90 *I4_1/acd
0 -.25 .125
atom       x       y       z  occ   Uiso
S1   .961717 .013192 .881669      .01256
S2   .855855 .093187 .012190      .01247
S3   .106330 .130649 .974391      .01271
Fe1        0       0       0      .01297
Fe2  .794208       0     3/4 .719 .01341
Mg2  .794208       0     3/4 .281 .01341
Mg3  .852518 .147397 .897173 .742 .01346
Fe3  .852518 .147395 .897173 .258 .01346
Al         0     .25    .125      .01185
K     .00007       0     3/4      .03164
O1    .94004 -.05104  .85726       .0293
O2    .00530  .05430  .84827       .0234
O3    .89868  .05176  .89558       .0230
O4    .00262 -.00378  .92639       .0193
O5    .85269  .13891  .05494       .0290
O6    .82315  .12712  .96982       .0229
O7    .81894  .02821  .02480       .0233
O8    .92949  .07699  .00033       .0190
O9    .08850  .19804  .99582       .0298
O10   .08053  .12894  .92374       .0239
O11   .18249  .12144  .97558       .0245
O12   .07354  .07388  .00326       .0192
O13   .94033  .19736  .92101       .0247
H13A   .9744   .1777   .9208        .065
H13B   .9316   .2257   .9413        .073
O14   .79926  .04325  .68084       .0252
H14A   .8389   .0467   .6716        .079
H14B   .7683   .0688   .6744        .106
O15   .75947  .10238  .87849       .0248
H15A   .7275   .1120   .8966        .064
H15B    .752    .096   .8505        .103
Wat1  -.0137   .1927  .17896 .225  .0198
Wat2  -.0190   .1585  .10342 .222  .0210
Wat3  -.0759   .2820  .08946 .236  .0227
Wat4   .0579   .2639  .17991 .221  .0216
Wat5   .0898   .2685  .10361 .233  .0213
Wat6  -.0332   .3269  .08894 .228  .0218
Wat7       0     .25   .1946 .129   .023
Wat8  -.0697   .3197    .125 .134   .024
Wat9   .0694   .3194    .125 .133   .023
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Potassic-fluoro-hastingsite
 
Lupulescu M V, Rakovan J, Dyar M D, Robinson G W, Hughes J M
Download cm/vol47/CM47_909.pdf
The Canadian Mineralogist 47 (2009) 909-916
Fluoro-potassichastingsite from the Greenwood mine, Orange County, New York:
A new end-member calcic amphibole
Locality: the Greenwood mine, Orange County, New York, USA
_database_code_amcsd 0006296
9.9480 18.1777 5.3302 90 105.140 90 C2/m
atom       x      y      z  occ  Uiso
KAm    .5248      0  .0522  .36 .0428
KA2       .5  -.034      0 .013   .01
CaM4       0 .27999     .5 .936   .02
CaM4'      0   .255     .5 .015  .014
FeM1       0 .09116     .5 .519 .0095
MgM1       0 .09116     .5 .481 .0095
FeM2      .5 .32197      0 .619 .0075
MgM2      .5 .32197      0 .381 .0075
FeM3       0      0      0 .542 .0085
MgM3       0      0      0 .458 .0085
SiT1  .27871 .08541 .30210 .929 .0079
AlT1  .27871 .08541 .30210 .071 .0079
SiT2  .29054 .17262 .81095 .944 .0073
AlT2  .29054 .17262 .81095 .046 .0073
O1    .10586 .08896 .21650      .0141
O2    .12106 .17519 .73056      .0136
F3    .11559  .0000 .71592  .99 .0284
O3    .11559  .0000 .71592  .01 .0284
O4    .36705 .24911 .79186      .0153
O5    .34741 .13728 .10438      .0154
O6    .34365 .11953 .60240      .0157
O7     .3364      0  .2937      .0185
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Beryl
Download hom/beryl.pdf
Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B,
Schultz A J, Ottolini L
 
The Canadian Mineralogist 48 (2010) 597-613
Crystal chemistry of dark blue aquamarine from the True Blue showing,
Yukon Territory, Canada
Note: X-ray
Locality: True Blue showing, Yukon Territory, Canada
_database_code_amcsd 0006282
9.2909 9.2909 9.1996 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25      .0087  .0096   .008  .0078  .0041      0      0
Al      1/3    2/3    .25 .678 .0058  .0055  .0055  .0065  .0027      0      0
Mg      1/3    2/3    .25 .129 .0058  .0055  .0055  .0065  .0027      0      0
Fe      1/3    2/3    .25 .192 .0058  .0055  .0055  .0065  .0027      0      0
Si   .38506 .11197      0      .0057  .0060  .0055  .0059  .0031      0      0
O1    .3044  .2300      0      .0138  .0144  .0121  .0194  .0100      0      0
O2   .49435 .14133 .14509      .0106  .0134  .0130  .0079  .0084 -.0024 -.0003
Na        0      0      0 .425  .017   .011   .011   .028  .0055      0      0
OW        0      0    .25 .912  .049   .060   .060   .028   .030      0      0
H        .0    .09    .19 .912   .05
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Beryl
Download hom/beryl.pdf
Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B,
Schultz A J, Ottolini L
 
The Canadian Mineralogist 48 (2010) 597-613
Crystal chemistry of dark blue aquamarine from the True Blue showing,
Yukon Territory, Canada
Note: neutron
Locality: True Blue showing, Yukon Territory, Canada
_database_code_amcsd 0006283
9.258 9.258 9.156 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25      .0073  .0078  .0074  .0067  .0037      0      0
Al      1/3    2/3    .25 .678 .0056  .0056  .0056  .0056  .0028      0      0
Mg      1/3    2/3    .25 .129 .0056  .0056  .0056  .0056  .0028      0      0
Fe      1/3    2/3    .25 .192 .0056  .0056  .0056  .0056  .0028      0      0
Si    .3855  .1123      0      .0052  .0057  .0052  .0050  .0029      0      0
O1    .3047  .2302      0      .0113  .0118  .0112  .0151  .0089      0      0
O2   .49500 .14196 .14519      .0089  .0110  .0124  .0061  .0080 -.0011 -.0006
Na        0      0      0 .432  .011   .009   .009   .015   .004      0      0
OW        0      0    .25 .912 .0186   .021   .021   .014  .0105      0      0
H      .025   .094   .181 .912  .052
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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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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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Ertl A, Schuster R, Hughes J M, Ludwig T, Meyer H-P,
Finger F, Dyar M D, Ruschel K, Rossman G R, Klotzli U,
Brandstatter F, Lengauer C L, Tillmanns E
 
European Journal of Mineralogy 24 (2012) 695-715
Li-bearing tourmalines in Variscan granitic pegmatites
from the Moldanubian nappes, Lower Austria
Note: Sample BLG1
Locality: Blocherleitengraben, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019404
15.9107 15.9107 7.1267 90 90 120 R3m
atom       x       y      z  occ  Uiso
NaX        0       0  .7501  .89 .0255
CaX        0       0  .7501  .05 .0255
KX         0       0  .7501  .01 .0255
AlY   .12380 -.06190 .35847 .383  .112
LiY   .12380 -.06190 .35847 .197  .112
Fe2+Y .12380 -.06190 .35847 .187  .112
Mn2+Y .12380 -.06190 .35847 .160  .112
Ti4+Y .12380 -.06190 .35847 .013  .112
ZnY   .12380 -.06190 .35847 .003  .112
AlZ   .29702  .26092 .37126      .0077
SiT   .19192  .19002 .01710 .978 .0067
AlT   .19192  .19002 .01710 .012 .0067
BT    .19192  .19002 .01710 .010 .0067
B     .10992 -.21984  .4721      .0084
F1         0       0  .1984  .79  .061
O1         0       0  .1984  .18  .061
OH1        0       0  .1984  .03  .061
O2    .06107 -.12214  .5000      .0198
O3     .2688  -.1344  .4728      .0118
H3      .268   -.134   .590       .027
O4    .09313 -.18626  .0883      .0102
O5     .1864  -.0932  .1100      .0107
O6    .19727  .18731  .2073      .0098
O7    .28555  .28580  .0974      .0086
O8    .21008  .27078  .4585      .0102
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Ertl A, Schuster R, Hughes J M, Ludwig T, Meyer H-P,
Finger F, Dyar M D, Ruschel K, Rossman G R, Klotzli U,
Brandstatter F, Lengauer C L, Tillmanns E
 
European Journal of Mineralogy 24 (2012) 695-715
Li-bearing tourmalines in Variscan granitic pegmatites
from the Moldanubian nappes, Lower Austria
Note: Sample BLP1
Locality: Blocherleitengraben, Moldanubian nappes, Lower Austria
_database_code_amcsd 0019405
15.8430 15.8430 7.1051 90 90 120 R3m
atom       x        y      z  occ  Uiso
NaX        0        0  .7501  .76 .0244
CaX        0        0  .7501  .12 .0244
AlY   .12331 -.061655  .3502 .507 .0120
LiY   .12331 -.061655  .3502 .230 .0120
Mn2+Y .12331 -.061655  .3502 .143 .0120
Fe2+Y .12331 -.061655  .3502 .030 .0120
AlZ   .29737   .26055 .37027 .997 .0091
Ti4+Z .29737   .26055 .37027 .003 .0091
SiT   .19175   .18986 .01896 .952 .0067
BT    .19175   .18986 .01896 .048 .0067
B     .10955  -.21910  .4732      .0098
F1         0        0  .1990  .69  .050
OH1        0        0  .1990  .31  .050
O2    .06057  -.12114  .4959      .0205
O3     .2668   -.1334  .4716      .0147
H3      .266    -.133   .585       .041
O4    .09332  -.18664  .0911      .0121
O5     .1864   -.0932  .1129      .0125
O6    .19609   .18609  .2057      .0110
O7    .28568   .28563  .0981      .0096
O8    .20990   .27049  .4593      .0108
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 45
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