|
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 |
|
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
|
| |
|
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 |
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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 |
|
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
|
| |
|
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 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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-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 #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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Richterite |
|
Gunter M E, Dyar M D, Twamley B, Foit F F, Cornelius S |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T1 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003445 |
|
15.7537 15.7537 7.0707 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .408 .0158 |
|
CaX 0 0 .25 .290 .0158 |
|
KX 0 0 .25 .002 .0158 |
|
AlY .12149 .06074 -.32526 .779 .0097 |
|
LiY .12149 .06074 -.32526 .122 .0097 |
|
Fe2Y .12149 .06074 -.32526 .028 .0097 |
|
Mn2Y .12149 .06074 -.32526 .003 .0097 |
|
MgY .12149 .06074 -.32526 .002 .0097 |
|
TiY .12149 .06074 -.32526 .002 .0097 |
|
AlZ .29671 .26049 -.35784 .00898 |
|
SiT .19120 .18935 .03544 .832 .00789 |
|
BT .19120 .18935 .03544 .103 .00789 |
|
AlT .19120 .18935 .03544 .060 .00789 |
|
BeT .19120 .18935 .03544 .006 .00789 |
|
B .10908 .21815 .48617 .0085 |
|
O1 0 0 -.1925 .59 .0159 |
|
OH1 0 0 -.1925 .41 .0159 |
|
O2 .05986 .11972 .5246 .0150 |
|
O3 .25944 .12972 -.4586 .0135 |
|
O4 .09389 .18777 .1101 .0141 |
|
O5 .18588 .09294 .1309 .0147 |
|
O6 .19343 .18312 -.1910 .0099 |
|
O7 .28650 .28584 .1102 .0100 |
|
O8 .20935 .26996 .4710 .0098 |
|
H3 .252 .126 .400 .08 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T2 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003446 |
|
15.7713 15.7713 7.0760 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .48 .0170 |
|
CaX 0 0 .25 .241 .0170 |
|
AlY .12143 .06071 -.32815 .741 .0096 |
|
LiY .12143 .06071 -.32815 .114 .0096 |
|
Fe2Y .12143 .06071 -.32815 .063 .0096 |
|
MgY .12143 .06071 -.32815 .003 .0096 |
|
TiY .12143 .06071 -.32815 .003 .0096 |
|
Mn2Y .12143 .06071 -.32815 .002 .0096 |
|
AlZ .29674 .26042 -.35941 .00881 |
|
SiT .19136 .18949 .03338 .855 .00754 |
|
AlT .19136 .18949 .03338 .049 .00754 |
|
BeT .19136 .18949 .03338 .005 .00754 |
|
BT .19136 .18949 .03338 .090 .00754 |
|
B .10914 .21828 .48456 .0084 |
|
O1 0 0 -.1938 .68 .0180 |
|
OH1 0 0 -.1938 .32 .0180 |
|
O2 .06000 .12000 .5217 .0161 |
|
O3 .26057 .13029 -.4602 .0141 |
|
O4 .09384 .18767 .1077 .0136 |
|
O5 .18598 .09299 .1287 .0141 |
|
O6 .19389 .18359 -.1930 .0100 |
|
O7 .28653 .28595 .1089 .0098 |
|
O8 .20938 .27000 .4696 .0098 |
|
H3 .256 .128 .411 .07 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T3 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003447 |
|
15.7959 15.7959 7.0815 90 90 120 R3m |
|
atom x y z occ Uiso |
|
Na 0 0 .75 .478 .0170 |
|
Ca 0 0 .75 .252 .0170 |
|
AlY .87871 .93935 .32912 .705 .0099 |
|
Fe2Y .87871 .93935 .32912 .112 .0099 |
|
LiY .87871 .93935 .32912 .091 .0099 |
|
Mn2Y .87871 .93935 .32912 .005 .0099 |
|
MgY .87871 .93935 .32912 .004 .0099 |
|
TiY .87871 .93935 .32912 .003 .0099 |
|
AlZ .70312 .73953 .35947 .00886 |
|
SiT .80847 .81037 .96712 .874 .00762 |
|
AlT .80847 .81037 .96712 .042 .00762 |
|
BeT .80847 .81037 .96712 .005 .00762 |
|
BT .80847 .81037 .96712 .080 .00762 |
|
B .89084 .78168 .51582 .0088 |
|
O1 0 0 .1927 .69 .0210 |
|
OH1 0 0 .1927 .31 .0210 |
|
O2 .93984 .87969 .4796 .0170 |
|
O3 .73834 .86917 .4604 .0145 |
|
O4 .90624 .81248 .8933 .0137 |
|
O5 .81398 .90699 .8719 .0143 |
|
O6 .80548 .81585 .1934 .0105 |
|
O7 .71346 .71399 .8910 .0101 |
|
O8 .79066 .72996 .5304 .0102 |
|
H3 .742 .871 .591 .06 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T4 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003448 |
|
15.8472 15.8472 7.0988 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .545 .0178 |
|
CaX 0 0 .25 .245 .0178 |
|
AlY .12142 .06071 -.33189 .597 .0098 |
|
Fe2Y .12142 .06071 -.33189 .223 .0098 |
|
LiY .12142 .06071 -.33189 .075 .0098 |
|
MgY .12142 .06071 -.33189 .013 .0098 |
|
Mn2Y .12142 .06071 -.33189 .007 .0098 |
|
TiY .12142 .06071 -.33189 .004 .0098 |
|
AlZ .29709 .26061 -.36039 .0087 |
|
SiT .19179 .18986 .03137 .892 .0074 |
|
AlT .19179 .18986 .03137 .045 .0074 |
|
BeT .19179 .18986 .03137 .004 .0074 |
|
BT .19179 .18986 .03137 .059 .0074 |
|
B .10938 .21876 .48285 .0090 |
|
O1 0 0 -.1930 .75 .0257 |
|
OH1 0 0 -.1930 .25 .0257 |
|
O2 .06044 .12088 .5170 .0184 |
|
O3 .2634 .13169 -.4615 .0145 |
|
O4 .09357 .18715 .1045 .0135 |
|
O5 .1862 .09310 .1264 .0142 |
|
O6 .19538 .18497 -.1950 .0108 |
|
O7 .28663 .28622 .1084 .0101 |
|
O8 .20935 .27011 .4685 .0106 |
|
H3 .262 .131 .416 .05 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T5 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003449 |
|
15.9013 15.9013 7.1213 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .632 .0196 |
|
CaX 0 0 .25 .145 .0196 |
|
AlY .12204 .06102 -.33702 .440 .0099 |
|
Fe2Y .12204 .06102 -.33702 .401 .0099 |
|
LiY .12204 .06102 -.33702 .063 .0099 |
|
MgY .12204 .06102 -.33702 .029 .0099 |
|
TiY .12204 .06102 -.33702 .009 .0099 |
|
Mn2Y .12204 .06102 -.33702 .008 .0099 |
|
AlZ .29753 .26084 -.36206 .00843 |
|
SiT .19190 .18994 .02874 .921 .0071 |
|
AlT .19190 .18994 .02874 .022 .0071 |
|
BeT .19190 .18994 .02874 .002 .0071 |
|
BT .19190 .18994 .02874 .056 .0071 |
|
B .10971 .21943 .48112 .0097 |
|
O1 0 0 -.1936 .81 .0325 |
|
OH1 0 0 -.1936 .19 .0325 |
|
O2 .06093 .12185 .5137 .0194 |
|
O3 .2653 .13262 -.4628 .0153 |
|
O4 .09344 .18688 .1002 .0139 |
|
O5 .1867 .09335 .1224 .0139 |
|
O6 .19643 .18609 -.1969 .0115 |
|
O7 .28616 .28613 .1067 .0107 |
|
O8 .20954 .27039 .4672 .0117 |
|
H3 .263 .132 .420 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Foitite |
|
Francis C A, Dyar M D, Williams M L, Hughes J M |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Shearer C K, Yates M G, Guidotti C V |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
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 |
|
Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J |
|
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 |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lithiophilite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pertlikite |
| |
Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C |
| |
The Canadian Mineralogist 46 (2008) 661-669 |
|
Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran |
|
Locality: Madeni Zakh, Iran |
|
_database_code_amcsd 0006190 |
|
19.2080 19.2080 27.2158 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso |
|
S1 .961717 .013192 .881669 .01256 |
|
S2 .855855 .093187 .012190 .01247 |
|
S3 .106330 .130649 .974391 .01271 |
|
Fe1 0 0 0 .01297 |
|
Fe2 .794208 0 3/4 .719 .01341 |
|
Mg2 .794208 0 3/4 .281 .01341 |
|
Mg3 .852518 .147397 .897173 .742 .01346 |
|
Fe3 .852518 .147395 .897173 .258 .01346 |
|
Al 0 .25 .125 .01185 |
|
K .00007 0 3/4 .03164 |
|
O1 .94004 -.05104 .85726 .0293 |
|
O2 .00530 .05430 .84827 .0234 |
|
O3 .89868 .05176 .89558 .0230 |
|
O4 .00262 -.00378 .92639 .0193 |
|
O5 .85269 .13891 .05494 .0290 |
|
O6 .82315 .12712 .96982 .0229 |
|
O7 .81894 .02821 .02480 .0233 |
|
O8 .92949 .07699 .00033 .0190 |
|
O9 .08850 .19804 .99582 .0298 |
|
O10 .08053 .12894 .92374 .0239 |
|
O11 .18249 .12144 .97558 .0245 |
|
O12 .07354 .07388 .00326 .0192 |
|
O13 .94033 .19736 .92101 .0247 |
|
H13A .9744 .1777 .9208 .065 |
|
H13B .9316 .2257 .9413 .073 |
|
O14 .79926 .04325 .68084 .0252 |
|
H14A .8389 .0467 .6716 .079 |
|
H14B .7683 .0688 .6744 .106 |
|
O15 .75947 .10238 .87849 .0248 |
|
H15A .7275 .1120 .8966 .064 |
|
H15B .752 .096 .8505 .103 |
|
Wat1 -.0137 .1927 .17896 .225 .0198 |
|
Wat2 -.0190 .1585 .10342 .222 .0210 |
|
Wat3 -.0759 .2820 .08946 .236 .0227 |
|
Wat4 .0579 .2639 .17991 .221 .0216 |
|
Wat5 .0898 .2685 .10361 .233 .0213 |
|
Wat6 -.0332 .3269 .08894 .228 .0218 |
|
Wat7 0 .25 .1946 .129 .023 |
|
Wat8 -.0697 .3197 .125 .134 .024 |
|
Wat9 .0694 .3194 .125 .133 .023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluoro-potassichastingsite |
|
Lupulescu M V, Rakovan J, Dyar M D, Robinson G W, Hughes J M |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| 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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