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Titanite |
 |
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
 |
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)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
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 |
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Si .75 .18262 0 .417 |
|
O1 .75 .0698 .5 .69 |
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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
|
| |
|
Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
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 |
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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
|
| |
|
Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
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 |
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Ca .2451 .91831 .7504 .97 |
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Si .7497 .9328 .7503 .21 |
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O1 .7487 .8209 .2482 .55 |
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O2 .9106 .8172 .9355 .51 |
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O3 .3830 .9599 .1461 .49 |
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O4 .9113 .3155 .4355 .57 |
|
O5 .3819 .4615 .6486 .53 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schorl |
|
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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 |
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MgZ .29802 .26158 .63386 .073 .00050 .00049 .00161 .000245 -.00007 .00004 |
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SiT .19205 .19007 .02373 .972 .00055 .00052 .00218 .00027 -.00002 -.000115 |
|
AlT .19205 .19007 .02373 .028 .00055 .00052 .00218 .00027 -.00002 -.000115 |
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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 |
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F1 0 0 .7984 .302 .0028 .0028 .0038 .0014 0 0 |
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-schorl |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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
|
| |
|
Oxy-dravite |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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
|
| |
|
Schorl |
|
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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
|
| |
|
Oxy-schorl |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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
|
| |
|
Fluor-schorl |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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
|
| |
|
Oxy-schorl |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
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 |
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B .1103 .2206 .4733 .0011 .0009 .0016 .00045 .00015 .0003 |
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O1 0 0 .7949 .853 .0025 .0025 .0050 .00125 0 0 |
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OH1 0 0 .7949 .041 .0025 .0025 .0050 .00125 0 0 |
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F1 0 0 .7949 .106 .0025 .0025 .0050 .00125 0 0 |
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O2 .0615 .1230 .5078 .0018 .0007 .0044 .00035 -.00005 -.0001 |
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OH3 .2645 .13225 .5281 .0026 .0012 .0034 .0013 -.00015 -.000075 |
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O4 .0931 .1862 .0891 .0009 .0015 .0045 .00075 -.0001 -.0002 |
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O5 .1865 .09325 .1120 .0014 .0007 .0048 .0007 .0003 .00015 |
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O6 .1961 .1857 .7951 .00138 .00150 .0026 .00095 -.00025 -.0005 |
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O7 .2849 .2854 .0978 .00078 .00080 .0040 .0002 -.00025 -.00055 |
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O8 .2097 .2701 .4597 .00075 .00109 .0057 .00055 .00015 .0006 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Oxy-dravite |
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Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
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American Mineralogist 84 (1999) 922-928 |
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Linking structure and chemistry in the schorl-dravite series |
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Sample Ru-T18-92 |
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Locality: Rumford, Oxford County, Maine, USA |
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_database_code_amcsd 0002245 |
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15.945 15.945 7.169 90 90 120 R3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .25 .626 .0019 .0019 .0077 .00095 0 0 |
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CaX 0 0 .25 .061 .0019 .0019 .0077 .00095 0 0 |
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KX 0 0 .25 .031 .0019 .0019 .0077 .00095 0 0 |
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MgY .27103 .54206 .3151 .366 .00071 .00097 .0053 .000485 .00024 .00048 |
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Fe2Y .27103 .54206 .3151 .176 .00071 .00097 .0053 .000485 .00024 .00048 |
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AlY .27103 .54206 .3151 .318 .00071 .00097 .0053 .000485 .00024 .00048 |
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Fe3Y .27103 .54206 .3151 .087 .00071 .00097 .0053 .000485 .00024 .00048 |
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TiY .27103 .54206 .3151 .041 .00071 .00097 .0053 .000485 .00024 .00048 |
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CrY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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VY .27103 .54206 .3151 .003 .00071 .00097 .0053 .000485 .00024 .00048 |
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LiY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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MnY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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AlZ .29813 .26163 .6300 .894 .00059 .00052 .00231 .00026 .00000 .000055 |
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MgZ .29813 .26163 .6300 .106 .00059 .00052 .00231 .00026 .00000 .000055 |
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SiT .19181 .18982 .0188 .00062 .00054 .00250 .000275 -.00001 -.000145 |
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B .1102 .2204 .4733 .0009 .0008 .0027 .0004 -.00005 -.0001 |
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O1 0 0 .7954 .669 .0018 .0018 .0050 .0009 0 0 |
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F1 0 0 .7954 .331 .0018 .0018 .0050 .0009 0 0 |
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O2 .06143 .12286 .5041 .00155 .0008 .0050 .0004 .0003 .0006 |
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O3 .2660 .1330 .5283 .106 .0023 .00119 .0034 .00115 -.0002 -.0001 |
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OH3 .2660 .1330 .5283 .894 .0023 .00119 .0034 .00115 -.0002 -.0001 |
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O4 .0931 .1862 .0888 .00082 .0019 .0039 .00095 .0000 .0000 |
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O5 .1859 .09295 .1106 .0016 .00065 .0045 .0008 .00015 .000075 |
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O6 .1966 .1864 .7947 .00116 .00122 .0025 .00070 -.0003 -.00035 |
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O7 .2851 .2854 .0979 .00085 .00069 .0036 .00024 -.0001 -.00025 |
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O8 .2097 .2705 .4596 .00071 .00101 .0050 .00055 -.00015 .0003 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Fluor-dravite |
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Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
American Mineralogist 84 (1999) 922-928 |
|
Linking structure and chemistry in the schorl-dravite series |
|
Sample #32008 |
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Locality: Tait farm, Dungannon Township, Hastings County, Ontario, Canada |
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_database_code_amcsd 0002246 |
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15.965 15.965 7.199 90 90 120 R3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .25 .471 .00120 .00120 .0045 .00060 0 0 |
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CaX 0 0 .25 .368 .00120 .00120 .0045 .00060 0 0 |
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KX 0 0 .25 .029 .00120 .00120 .0045 .00060 0 0 |
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MgY .27140 .54280 .3223 .460 .00077 .00104 .0048 .00052 .000395 .00079 |
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Fe2Y .27140 .54280 .3223 .093 .00077 .00104 .0048 .00052 .000395 .00079 |
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MnY .27140 .54280 .3223 .004 .00077 .00104 .0048 .00052 .000395 .00079 |
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Fe3Y .27140 .54280 .3223 .288 .00077 .00104 .0048 .00052 .000395 .00079 |
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AlY .27140 .54280 .3223 .117 .00077 .00104 .0048 .00052 .000395 .00079 |
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TiY .27140 .54280 .3223 .011 .00077 .00104 .0048 .00052 .000395 .00079 |
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LiY .27140 .54280 .3223 .006 .00077 .00104 .0048 .00052 .000395 .00079 |
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AlZ .29804 .26164 .6346 .848 .00044 .00040 .00175 .000225 -.00011 -.000025 |
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MgZ .29804 .26164 .6346 .152 .00044 .00040 .00175 .000225 -.00011 -.000025 |
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SiT .19175 .18997 .0223 .00054 .00056 .00243 .00025 -.00002 -.000105 |
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B .1102 .2204 .4745 .0009 .0008 .0025 .0004 .00005 .0001 |
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F1 0 0 .8001 .495 .0011 .0011 .0051 .00055 0 0 |
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OH1 0 0 .8001 .020 .0011 .0011 .0051 .00055 0 0 |
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O1 0 0 .8001 .485 .0011 .0011 .0051 .00055 0 0 |
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O2 .0609 .1218 .5005 .00108 .0009 .0051 .00045 .0001 .0002 |
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OH3 .2678 .1339 .5338 .0019 .00114 .0028 .00095 .0001 .00005 |
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O4 .0922 .1844 .0931 .00094 .0017 .0031 .00085 -.00015 -.0003 |
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O5 .1835 .09175 .1133 .0017 .00064 .0041 .00085 .00045 .000225 |
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O6 .1960 .1866 .7997 .00117 .00100 .0027 .00062 -.0001 -.00025 |
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O7 .2847 .2846 .1027 .00084 .00090 .0039 .000215 -.0003 -.0002 |
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O8 .2097 .2702 .4639 .00075 .00095 .0061 .000513 .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
|
| |
|
Ojuelaite |
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Hughes J M, Bloodaxe E S, Kobel K D, Drexler J W |
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Mineralogical Magazine 60 (1996) 519-521 |
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The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O |
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Locality: Ojuela mine, Mapimi, Mexico |
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_database_code_amcsd 0014519 |
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10.237 9.662 5.562 90 94.36 90 P2_1/c |
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atom x y z Biso |
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Zn 0 0 0 .72 |
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Fe3+ .45554 .13639 .3394 .34 |
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As .29680 .42866 .32682 .346 |
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O1 .3988 .4860 .1167 .59 |
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O2 .3561 .4900 .5989 .63 |
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O3 .1483 .4926 .2596 .87 |
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O4 .2962 .2545 .3186 .66 |
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OH .5414 .2323 .0782 .61 |
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Wat1 .1299 -.0937 .2916 1.34 |
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Wat2 .0456 .1930 .1277 1.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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