American Mineralogist Crystal Structure Database

14 matching records for this search.

Titanite
Download hom/titanite.pdf
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
Download am/vol82/AM82_512.pdf
American Mineralogist 82 (1997) 512-516
Incorporation of rare earth elements in titanite: Stabilization of the A2/a
dimorph by creation of antiphase boundaries
Sample: natural
_database_code_amcsd 0001898
7.0425 8.7155 6.5376 90 113.629 90 A2/a
atom     x      y     z Biso
Ti      .5      0    .5  .75
Ca     .25 .16684     0 1.54
Si     .75  .1828     0  .67
O1     .75  .0744    .5  .88
O2   .9127  .0667 .1834 1.10
O3   .3798  .2105 .3949 1.03
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
Download am/vol82/AM82_512.pdf
American Mineralogist 82 (1997) 512-516
Incorporation of rare earth elements in titanite: Stabilization of the A2/a
dimorph by creation of antiphase boundaries
Sample: La-Al
_database_code_amcsd 0001899
7.0348 8.7119 6.5498 90 113.712 90 A2/a
atom     x      y     z  Biso
Ti      .5      0    .5  .693
Ca     .25 .16868     0 1.058
Si     .75 .18262     0  .417
O1     .75  .0698    .5   .69
O2   .9114  .0661 .1853   .77
O3   .3827  .2108 .3970   .68
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
Download am/vol82/AM82_512.pdf
American Mineralogist 82 (1997) 512-516
Incorporation of rare earth elements in titanite: Stabilization of the A2/a
dimorph by creation of antiphase boundaries
Sample: Dy-Al
_database_code_amcsd 0001900
7.0280 8.7025 6.5434 90 113.6813 90 A2/a
atom     x      y     z Biso
Ti      .5      0    .5  .64
Ca     .25 .16922     0 1.01
Si     .75  .1824     0  .58
O1     .75  .0705    .5  .91
O2   .9112  .0663 .1846  .86
O3   .3817  .2107 .3971  .79
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
Download am/vol82/AM82_512.pdf
American Mineralogist 82 (1997) 512-516
Incorporation of rare earth elements in titanite: Stabilization of the A2/a
dimorph by creation of antiphase boundaries
Sample: Dy-Al
_database_code_amcsd 0001901
7.057 8.710 6.555 90 113.84 90 P2_1/a
atom      x      y     z Biso
Ti   .50870  .7526 .2496  .54
Ca    .2451 .91831 .7504  .97
Si    .7497  .9328 .7503  .21
O1    .7487  .8209 .2482  .55
O2    .9106  .8172 .9355  .51
O3    .3830  .9599 .1461  .49
O4    .9113  .3155 .4355  .57
O5    .3819  .4615 .6486  .53
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 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
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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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Ojuelaite
Download hom/ojuelaite.pdf
Hughes J M, Bloodaxe E S, Kobel K D, Drexler J W
Download mm/vol60/MM60_519.pdf
Mineralogical Magazine 60 (1996) 519-521
The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O
Locality: Ojuela mine, Mapimi, Mexico
_database_code_amcsd 0014519
10.237 9.662 5.562 90 94.36 90 P2_1/c
atom      x      y      z Biso
Zn        0      0      0  .72
Fe3+ .45554 .13639  .3394  .34
As   .29680 .42866 .32682 .346
O1    .3988  .4860  .1167  .59
O2    .3561  .4900  .5989  .63
O3    .1483  .4926  .2596  .87
O4    .2962  .2545  .3186  .66
OH    .5414  .2323  .0782  .61
Wat1  .1299 -.0937  .2916 1.34
Wat2  .0456  .1930  .1277 1.46
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Total number of retrieved datasets: 14
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