American Mineralogist Crystal Structure Database

7 matching records for this search.

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
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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
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View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L1v
_database_code_amcsd 0003960
15.9825 15.9825 7.1596 90 90 120 R3m
atom       x      y      z   occ   Uiso
CaX        0      0 .22594  .048  .0209
NaX        0      0 .22594  .647  .0209
KX         0      0 .22594  .010  .0209
TiY   .12452 .06226 .62843 .0107 .00786
AlY   .12452 .06226 .62843 .2883 .00786
Fe3+Y .12452 .06226 .62843 .2427 .00786
Fe2+Y .12452 .06226 .62843 .3623 .00786
MnY   .12452 .06226 .62843 .0107 .00786
MgY   .12452 .06226 .62843  .063 .00786
ZnY   .12452 .06226 .62843 .0087 .00786
LiY   .12452 .06226 .62843 .0133 .00786
AlZ   .29850 .26164 .61093 .9538  .0048
Fe3Z  .29850 .26164 .61093  .032  .0048
FeZ   .29850 .26164 .61093 .0038  .0048
MgZ   .29850 .26164 .61093 .0103  .0048
B     .11030 .22060 .45479        .0049
SiT   .19200 .18999      0 .9718 .00399
AlT   .19200 .18999      0 .0282 .00399
F1W        0      0 .78131  .201   .042
OH1W       0      0 .78131  .367   .042
O1         0      0 .78131  .432   .042
O2    .06154 .12308 .48544        .0145
O3V   .26866 .13433 .50964        .0109
O4    .09317 .18634 .06864        .0088
O5    .18676 .09338 .09128        .0089
O6    .19794 .18748 .77573        .0070
O7    .28533 .28579 .07946        .0064
O8    .20979 .27061 .44096        .0078
H3      .261  .1305   .394          .03
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L1z
_database_code_amcsd 0003961
15.9842 15.9842 7.1581 90 90 120 R3m
atom       x      y      z   occ   Uiso
CaX        0      0 .22528  .071  .0203
NaX        0      0 .22528  .629  .0203
KX         0      0 .22528  .007  .0203
TiY   .12454 .06227 .62850 .0113 .00805
AlY   .12454 .06227 .62850 .3087 .00805
Fe3+Y .12454 .06227 .62850  .188 .00805
Fe2+Y .12454 .06227 .62850 .4093 .00805
MnY   .12454 .06227 .62850  .012 .00805
MgY   .12454 .06227 .62850 .0433 .00805
ZnY   .12454 .06227 .62850 .0103 .00805
LiY   .12454 .06227 .62850 .0167 .00805
AlZ   .29848 .26167 .61089 .9352  .0049
Fe3Z  .29848 .26167 .61089 .0158  .0049
FeZ   .29848 .26167 .61089 .0213  .0049
MgZ   .29848 .26167 .61089 .0277  .0049
B     .11022 .22044 .45450        .0054
SiT   .19198 .18997      0  .972 .00428
AlT   .19198 .18997      0  .028 .00428
F1W        0      0 .78150  .249   .040
OH1W       0      0 .78150  .321   .040
O1         0      0 .78150  .430   .040
O2    .06159 .12318 .48544        .0139
O3V   .26860 .13430 .50965        .0108
O4    .09318 .18636 .06852        .0088
O5    .18686 .09343 .09141        .0093
O6    .19789 .18751 .77579        .0070
O7    .28532 .28577 .07937        .0067
O8    .20975 .27057 .44099        .0080
H3      .259  .1295   .396          .07
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
Skoda R, Breiter K, Klementova M, Duda R, Groat L A
 
American Mineralogist 98 (2013) 485-492
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
Locality: Zlata Idka, Slovak Republic
_database_code_amcsd 0019853
15.916 15.916 7.1071 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)
Na        0       0  .0825  .591 .0229  .0223  .0223   .024  .0111      0       0
Ca        0       0  .0825  .103 .0229  .0223  .0223   .024  .0111      0       0
AlY  .12237  .06118 .50346 .6283 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
FeY  .12237  .06118 .50346 .3693 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
MnY  .12237  .06118 .50346 .0017 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
TiY  .12237  .06118 .50346 .0007 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
AlZ  .29700  .36937 .14311 .9047 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
MgZ  .29700  .36937 .14311 .0953 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
Si   .19214  .19002 .86941 .9177 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
Al   .19214  .19002 .86941 .0823 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
B    .10971   .2194  .3182       .0142  .0172   .015  .0094  .0077 -.0002  -.0004
O1        0       0  .6394       .0269  .0314  .0314   .018  .0157      0    .000
O2   .06060   .1212  .3556       .0210  .0251  .0147  .0197  .0073  .0001   .0002
O3    .2620  .13101  .3745       .0189  .0291  .0171  .0144  .0146  .0005   .0003
O4    .1869  .09346  .9640       .0198  .0243  .0168  .0208  .0121 -.0001       0
O5   -.1883 -.09417 -.0580       .0192  .0250  .0188  .0160  .0125  .0018   .0009
O6   .19549  .18438  .6403       .0150  .0165  .0169  .0111  .0080  .0012   .0008
O7   .28759  .28731  .9447       .0142  .0135  .0138  .0133  .0053  .0002  -.0003
O8   .20909  .26975  .3046       .0145  .0136  .0152  .0153  .0075 -.0001   .0018
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
Skoda R, Breiter K, Klementova M, Duda R, Groat L A
 
American Mineralogist 98 (2013) 485-492
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
Locality: Pribyslavice, Czech Republic
_database_code_amcsd 0019854
15.9853 15.9853 7.1538 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   .9019  .586  .0266  .0267  .0267  .0263  .0134       0       0
CaX       0       0   .9019  .017  .0266  .0267  .0267  .0263  .0134       0       0
KX        0       0   .9019  .006  .0266  .0267  .0267  .0263  .0134       0       0
FeY  .87496 .937481  .50264 .6263 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
MnY  .87496 .937481  .50264  .005 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlY  .87496 .937481  .50264 .3377 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
TiY  .87496 .937481  .50264  .031 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlZ  .70355  .63191 -.14783 .9553 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
MgZ  .70355  .63191 -.14783 .0317 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
FeZ  .70355  .63191 -.14783  .013 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
SiT  .80806  .81008  .12963 .9907 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
AlT  .80806  .81008  .12963 .0093 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
B    .88991  .77981   .6753        .0076  .0077  .0074  .0074  .0037   .0000   .0000
O1        0       0   .3485  .579  .0363  .0494  .0494  .0102  .0247       0       0
F         0       0   .3485  .307  .0363  .0494  .0494  .0102  .0247       0       0
OH        0       0   .3485  .115  .0363  .0494  .0494  .0102  .0247       0       0
O2   .93822  .87643   .6435        .0151  .0207  .0069  .0132  .0035   .0004   .0008
O3   .73144  .86572   .6201        .0123  .0213  .0123  .0063  .0107   .0007   .0004
O4   .81267  .90634   .0387        .0103  .0145  .0074  .0114  .0072   .0011   .0006
O5   .18631  .09316   .0618        .0104  .0149  .0082  .0105  .0075   .0012   .0006
O6   .80182  .81238  .35415        .0089  .0090  .0103  .0070  .0047  -.0003  -.0009
O7   .71481  .71419  .05039        .0086  .0088  .0068  .0082  .0024  -.0009  -.0008
O8   .79017  .72936 -.31139        .0097  .0075  .0115  .0111  .0054   .0010   .0021
H3     .735   .8677    .732         .21
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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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