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Dumortierite |
 |
Alexander V D, Griffen D T, Martin T J |
 |
American Mineralogist 71 (1986) 786-794 |
|
Crystal chemistry of some Fe- and Ti-poor dumortierites |
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Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA |
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_database_code_amcsd 0001022 |
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11.786 20.209 4.692 90 90 90 Pmcn |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .75 .4053 .0877 .0042 .0114 .0031 0 0 .0009 |
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Si2 .5240 .3281 .5876 .99 .0082 .0070 .0032 -.0004 .0004 .0003 |
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Al1 .75 .2502 .3981 .93 .0067 .0122 .0836 0 0 -.0043 |
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Al2 .6103 .4722 .5573 .98 .0044 .0058 .0026 .0003 -.0003 -.0004 |
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Al3 .4913 .4307 .0595 .97 .0044 .0048 .0018 -.0006 .0000 .0001 |
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Al4 .3581 .2893 .0578 .99 .0073 .0075 .0053 .0011 -.0005 -.0002 |
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B .25 .4159 .2284 .0030 .0012 .0114 0 0 .0003 |
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O1 .75 .4537 .3788 .0058 .0213 .0060 0 0 -.0038 |
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O2 .75 .3258 .1488 .0102 .0216 .0099 0 0 .0024 |
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O3 .6390 .4242 .8967 .0076 .0171 .0045 -.0006 .0002 .0022 |
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O4 .4364 .2824 .4014 .0104 .0143 .0054 -.0025 .0021 -.0018 |
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O5 .5496 .3933 .3972 .0135 .0070 .0061 -.0009 -.0015 .0005 |
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O6 .4537 .3504 .8846 .0137 .0093 .0066 -.0021 .0030 -.0018 |
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O7 .6396 .2868 .6479 .0154 .0129 .0091 .0016 -.0023 .0009 |
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O8 .25 .3500 .1685 .0038 .0102 .0212 0 0 -.0032 |
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O9 .3507 .4482 .2553 .0059 .0109 .0119 -.0041 .0011 -.0021 |
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O10 .25 .2723 .7603 .0048 .0145 .0060 0 0 -.0022 |
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O11 .4663 .4881 .7505 .0057 .0072 .0047 .0006 .0004 .0000 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Dumortierite |
|
Alexander V D, Griffen D T, Martin T J |
|
American Mineralogist 71 (1986) 786-794 |
|
Crystal chemistry of some Fe- and Ti-poor dumortierites |
|
Sample: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA |
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O5y and O11x have been editted |
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_database_code_amcsd 0001023 |
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11.798 20.210 4.710 90 90 90 Pmcn |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .75 .4053 .0871 .0027 .0102 .0029 0 0 .0001 |
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Si2 .5243 .3283 .5870 .0066 .0056 .0036 -.0016 .0000 .0004 |
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Al1 .75 .2498 .3997 .84 .0050 .0073 .0492 0 0 -.0002 |
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Al2 .6104 .4725 .5580 .0029 .0045 .0035 -.0002 -.0003 -.0004 |
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Al3 .4911 .4311 .0595 .0036 .0047 .0029 -.0001 .0001 .0000 |
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Al4 .3586 .2891 .0576 .0047 .0063 .0058 .0014 -.0001 -.0011 |
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B .25 .4160 .2251 .0051 .0053 .0052 0 0 -.0009 |
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O1 .75 .4540 .3771 .0056 .0131 .0066 0 0 -.0017 |
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O2 .75 .3265 .1498 .0145 .0184 .0138 0 0 .0047 |
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O3 .6394 .4243 .8963 .0057 .0105 .0055 .0005 -.0003 .0003 |
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O4 .4359 .2827 .4011 .0077 .0110 .0067 -.0018 -.0007 .0005 |
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O5 .5500 .3933 .3963 .0072 .0088 .0061 -.0003 -.0006 .0002 |
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O6 .4539 .3502 .8805 .0100 .0107 .0077 -.0017 .0006 -.0007 |
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O7 .6385 .2870 .6477 .0138 .0158 .0145 .0006 -.0042 .0026 |
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O8 .25 .3505 .1621 .0059 .0101 .0146 0 0 -.0029 |
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O9 .3511 .4479 .2548 .0058 .0096 .0094 -.0004 .0004 -.0019 |
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O10 .25 .2724 .7612 .0082 .0143 .0073 0 0 -.0016 |
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O11 .4664 .4881 .7499 .0046 .0080 .0049 .0002 .0000 -.0002 |
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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 (permalink) |
| |
|
Dumortierite |
|
Alexander V D, Griffen D T, Martin T J |
|
American Mineralogist 71 (1986) 786-794 |
|
Crystal chemistry of some Fe- and Ti-poor dumortierites |
|
Sample: #10, USNM 96698, from Petaca, New Mexco, USA |
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_database_code_amcsd 0001024 |
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11.800 20.222 4.699 90 90 90 Pmcn |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .75 .4055 .0881 .0024 .0132 .0054 0 0 .0000 |
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Si2 .5237 .3282 .5875 .99 .0058 .0089 .0057 -.0005 .0002 -.0002 |
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Al1 .75 .2497 .3993 .91 .0031 .0100 .0824 0 0 -.0013 |
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Al2 .6104 .4722 .5582 .98 .0023 .0076 .0054 .0006 .0002 -.0001 |
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Al3 .491 .4308 .0599 .98 .0029 .0078 .0041 -.0010 .0002 .0001 |
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Al4 .3577 .2892 .0577 .99 .0051 .0096 .0085 .0008 .0008 -.0008 |
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B .25 .4153 .2325 .98 .0001 .0105 .0042 0 0 .0003 |
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O1 .75 .4532 .3791 .0061 .0183 .0075 0 0 -.0044 |
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O2 .75 .3267 .1503 .0078 .0173 .0137 0 0 .0027 |
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O3 .6387 .4249 .8964 .0067 .0163 .0063 -.0025 -.0017 .0032 |
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O4 .4355 .2821 .3997 .0079 .0175 .0089 .0008 .0005 -.0002 |
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O5 .5491 .3933 .3969 .0107 .0105 .0054 .0024 -.0012 .0015 |
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O6 .4544 .3505 .8827 .0114 .0123 .0081 -.0020 .0022 -.0024 |
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O7 .6387 .2868 .6484 .0108 .0175 .0129 .0028 -.0035 .0010 |
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O8 .25 .3506 .1701 .0001 .0092 .0281 0 0 -.0007 |
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O9 .3511 .4486 .2553 .0037 .0122 .0179 -.0008 .0009 -.0032 |
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O10 .25 .2724 .7615 .0051 .0159 .0057 0 0 -.0011 |
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O11 .4661 .4881 .7512 .0036 .0139 .0044 -.0018 .0009 .0012 |
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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 (permalink) |
| |
|
Dumortierite |
|
Alexander V D, Griffen D T, Martin T J |
|
American Mineralogist 71 (1986) 786-794 |
|
Crystal chemistry of some Fe- and Ti-poor dumortierites |
|
Sample: #11, USNM 141800, from Ambositra, Madagascar |
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_database_code_amcsd 0001025 |
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11.802 20.222 4.695 90 90 90 Pmcn |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .75 .4057 .0873 .99 .0024 .0084 .0027 0 0 .0002 |
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Si2 .5246 .3282 .5873 .98 .0052 .0042 .0033 -.0012 .0002 .0002 |
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Al1 .75 .2498 .3973 .85 .0079 .0119 .0547 0 0 -.0005 |
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Al2 .6102 .4725 .5580 .98 .0028 .0038 .0032 -.0005 .0001 -.0002 |
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Al3 .4910 .4310 .0597 .97 .0024 .0034 .0029 .0000 .0000 -.0003 |
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Al4 .3585 .2890 .0576 .99 .0048 .0059 .0065 .0011 -.0005 -.0016 |
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B .25 .4156 .2267 .0066 .0072 .0064 0 0 .0026 |
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O1 .75 .4539 .3765 .0040 .0134 .0077 0 0 -.0020 |
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O2 .75 .3259 .1494 .0150 .0159 .0113 0 0 .0042 |
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O3 .6397 .4241 .8953 .0064 .0115 .0062 .0008 .0006 .0008 |
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O4 .4362 .2825 .3994 .0065 .0107 .0077 -.0020 -.0015 .0003 |
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O5 .5504 .3933 .3956 .0069 .0086 .0073 -.0007 -.0003 -.0005 |
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O6 .4539 .3501 .8807 .010 .0103 .0073 -.0032 .0005 -.0008 |
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O7 .6397 .2867 .6478 .0136 .0155 .0130 .0014 -.0025 .0012 |
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O8 .25 .3502 .1623 .0078 .0081 .0116 0 0 -.0022 |
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O9 .3511 .4480 .2540 .0059 .0127 .0101 -.0012 .0011 -.0020 |
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O10 .25 .2723 .7614 .0082 .0154 .0072 0 0 -.0011 |
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O11 .4661 .4881 .7503 .0067 .0099 .0054 -.0007 .0007 -.0002 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Dumortierite |
|
Evans R J, Fyfe C A, Groat L A, Lam A E |
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American Mineralogist 97 (2012) 329-340 |
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MAS NMR measurements and ab initio calculations of the 29Si chemical |
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shifts in dumortierite and holtite |
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Locality: Madagascar |
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_database_code_amcsd 0020826 |
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4.6882 11.7924 20.1856 90 90 90 Pnma |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1a .350 .75 .2495 .28 |
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Al1 .40 .75 .2496 .23 |
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Al1b .443 .75 .2508 .24 |
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Al2 .55789 .61031 .47248 .988 .0050 .0051 .0049 -.0001 -.0003 -.0002 |
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Al3 .05981 .49095 .43096 .987 .0049 .0055 .0047 -.0001 -.0001 .0000 |
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Al4 .05727 .35835 .28888 .996 .0078 .0066 .0064 .0011 -.0008 -.0001 |
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Si1 .08701 .75 .40557 .979 .0043 .0041 .0082 0 -.0002 0 |
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Si2 .58718 .52457 .32814 .982 .0049 .0073 .0048 -.0011 .0001 .0001 |
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B .2255 .25 .41611 .0059 .0080 .0065 0 .0004 0 |
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O1 .3769 .75 .45396 .0060 .0051 .0089 0 -.0013 0 |
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O2 .1492 .75 .32597 .0108 .0146 .0097 0 .0023 0 |
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O3 .8955 .63932 .42430 .0054 .0051 .0072 .0002 .0005 -.0002 |
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O4 .3997 .43611 .28257 .0057 .0076 .0056 -.0010 .0005 -.0002 |
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O5 .3951 .55031 .39346 .0059 .0073 .0050 -.0007 .0002 -.0007 |
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O6 .8808 .45421 .35013 .0066 .0086 .0057 -.0016 -.0005 .0007 |
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O7 .6478 .63967 .28673 .0111 .0108 .0127 .0017 .0014 -.0016 |
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O8 .1621 .25 .35067 .0122 .0056 .0056 0 -.0021 0 |
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O9 .2549 .35110 .44807 .0086 .0056 .0061 -.0005 -.0017 .0005 |
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O10 .7611 .25 .27214 .0068 .0069 .0105 0 -.0004 0 |
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O11 .7503 .46631 .48798 .0048 .0056 .0049 .0002 .0002 -.0002 |
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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 (permalink) |
| |
|
Dumortierite |
|
Groat L A, Evans R J, Grew E S, Pieczka A |
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The Canadian Mineralogist 50 (2012) 855-872 |
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The crystal chemistry of As- and Sb-bearing dumortierite |
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Sample: D21 |
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Locality: Hartmannsdorf quarry, 12 km northwest of Chemnitz in Saxony, Germany |
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_database_code_amcsd 0019559 |
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4.6971 11.8149 20.2267 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1A .3334 .75 .25050 .264 .00775 |
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Al1 .410 .75 .24960 .423 .00775 |
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Al1B .479 .75 .24934 .177 .00775 |
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Al2 .55788 .61057 .472550 .9923 .00549 .00417 .00568 .00662 -.00013 -.00032 -.00009 |
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Al3 .05966 .49113 .431125 .9922 .00559 .00402 .00640 .00635 .00010 -.00006 -.00015 |
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Al4 .05850 .35910 .289310 .9885 .00748 .00691 .00759 .00794 .00006 -.00076 .00137 |
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Si1 .0871 .75 .40487 .9614 .0073 .0035 .0051 .0133 .000 -.0001 .000 |
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As1 .108 .75 .3973 .0309 .0065 |
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Sb1 .117 .75 .3789 .0077 .0065 |
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Si2 .58738 .52488 .32822 .9612 .00708 .00427 .0100 .00693 -.00005 .00011 -.00227 |
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As2 .607 .5443 .3218 .0311 .0064 |
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Sb2 .610 .5699 .3143 .0078 .0064 |
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B .2254 .25 .41611 .0067 .0063 .0071 .0067 .000 -.0001 .000 |
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O1 .37674 .75 .45439 .00776 .0055 .0061 .0117 .000 -.0013 .000 |
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O2 .1510 .75 .32637 .9614 .01296 .0125 .0126 .0138 .000 .0045 .000 |
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O3 .89572 .63925 .42440 .00674 .0046 .0065 .0091 -.00013 .0006 .00041 |
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O4 .40157 .43581 .28267 .00724 .0052 .0087 .0078 -.0005 .00030 -.00132 |
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O5 .39524 .55015 .39349 .00663 .0049 .0082 .0068 -.00057 .00028 -.00067 |
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O6 .88067 .45381 .35051 .00795 .0057 .0103 .0079 .0008 -.0010 -.00187 |
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O7 .64890 .63881 .28694 .9612 .01339 .0137 .0130 .0134 -.0039 .0021 .0006 |
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O8 .1639 .25 .35054 .00900 .0137 .0069 .0063 .000 -.0019 .000 |
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O9 .25449 .35110 .44802 .00733 .0081 .0062 .0077 .0004 -.0016 -.00071 |
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O10 .76083 .25 .27239 .00918 .0063 .0084 .0128 .000 -.0012 .000 |
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O11 .75026 .46648 .48806 .00568 .0042 .0063 .0066 -.00029 .00010 .00013 |
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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 (permalink) |
| |
|
Dumortierite |
|
Groat L A, Evans R J, Grew E S, Pieczka A |
| |
The Canadian Mineralogist 50 (2012) 855-872 |
|
The crystal chemistry of As- and Sb-bearing dumortierite |
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Sample: D27 |
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Locality: west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia |
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_database_code_amcsd 0019560 |
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4.6901 11.7874 20.1872 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1A .332 .75 .2494 .187 .0074 |
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Al1 .3954 .75 .2498 .43 .0074 |
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Al1B .475 .75 .2503 .187 .0074 |
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Al2 .55796 .61038 .47240 .977 .0049 .0050 .0046 .0051 .0001 -.0002 -.0003 |
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Al3 .05982 .49106 .43092 .981 .0050 .0049 .0048 .0052 .0000 .0001 .0000 |
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Al4 .05801 .35854 .28907 .974 .0065 .0074 .0059 .0061 .0004 -.0006 .0009 |
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Si1 .0879 .75 .40474 .966 .0056 .0036 .0035 .0096 .000 -.0001 .000 |
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Si2 .58827 .52567 .32776 .962 .00565 .0047 .0071 .0052 .0002 .0001 -.0017 |
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As1 .118 .75 .3875 .027 .008 |
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As2 .616 .5634 .3158 .0301 .006 |
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Sb1 .057 .75 .358 .0069 .008 |
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Sb2 .555 .597 .3063 .0075 .006 |
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B .2266 .25 .41616 .0073 .0090 .0045 .0085 .000 .0009 .000 |
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O1 .3775 .75 .45410 .962 .0050 .0038 .0031 .0080 .000 -.0005 .000 |
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O1SB .406 .75 .397 .038 .005 |
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O2 .1498 .75 .32539 .966 .0123 .0129 .0125 .0114 .000 .0029 .000 |
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O3 .8957 .63919 .42401 .0064 .0064 .0059 .0068 .0000 .0006 -.0007 |
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O4 .4000 .43608 .28232 .0063 .0065 .0056 .0068 .0008 .0003 -.0004 |
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O5 .3953 .55058 .39335 .0064 .0068 .0060 .0063 .0001 -.0002 -.0001 |
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O6 .8813 .45370 .35027 .969 .0054 .0047 .0061 .0052 -.0001 .0000 -.0011 |
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O6SB .899 .510 .323 .031 .005 |
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O7 .6478 .64005 .28647 .966 .0118 .0136 .0104 .0114 -.0019 .0006 .0010 |
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O8 .1674 .25 .35049 .0089 .0159 .0047 .0062 .000 -.0014 .000 |
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O9 .2545 .35107 .44822 .0072 .0104 .0052 .0059 -.0003 -.0008 -.0012 |
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O10 .7598 .25 .27233 .0074 .0053 .0058 .0111 .000 .0003 .000 |
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O11 .7503 .46626 .48804 .0048 .0036 .0055 .0052 .0000 -.0001 -.0002 |
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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 (permalink) |
| |
|
Dumortierite |
|
Groat L A, Evans R J, Grew E S, Pieczka A |
| |
The Canadian Mineralogist 50 (2012) 855-872 |
|
The crystal chemistry of As- and Sb-bearing dumortierite |
|
Sample: D31 |
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Locality: Tonagh Island in Amundsen Bay, Enderby Land, East Antarctica |
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_database_code_amcsd 0019561 |
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4.6871 11.7901 20.1825 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1A .335 .75 .25033 .26 .0071 |
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Al1 .412 .75 .24963 .481 .0071 |
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Al1B .487 .75 .2495 .14 .0071 |
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Al2 .55802 .61051 .472482 .990 .00506 .0046 .00526 .00530 -.00017 -.00033 -.00012 |
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Al3 .05971 .49106 .431009 .990 .00517 .0046 .00602 .00488 .00006 .00006 -.00010 |
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Al4 .05802 .35872 .289074 .984 .00662 .0071 .00669 .00606 -.00008 -.00080 .00107 |
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Si1 .0874 .75 .4045 .9592 .0068 .0044 .0054 .0106 0 -.0003 0 |
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As1 .105 .75 .399 .0326 .002 |
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Sb1 .113 .75 .3802 .0082 .002 |
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Si2 .5875 .52556 .32794 .9583 .0063 .0046 .0091 .0051 -.0002 .0003 -.0019 |
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As2 .608 .5417 .3214 .0333 .0055 |
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Sb2 .607 .5735 .3153 .0083 .0055 |
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B .2261 .25 .41615 .0067 .0066 .0067 .0067 0 .0000 0 |
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O1 .3767 .75 .45417 .0072 .0058 .0059 .0099 0 -.0011 0 |
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O2 .1500 .75 .32577 .9592 .0128 .0135 .0129 .0118 0 .0042 0 |
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O3 .89571 .63919 .42411 .00609 .0055 .0057 .0070 .0001 .0005 -.0004 |
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O4 .40051 .43611 .28251 .00632 .0051 .0078 .0060 .0001 .0006 -.0009 |
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O5 .39510 .55028 .39341 .00600 .0053 .0076 .0052 -.0006 -.0001 -.0008 |
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O6 .88080 .45396 .35023 .00709 .0056 .0093 .0064 .0009 -.0006 -.0017 |
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O7 .6481 .63972 .28660 .9583 .0128 .0157 .0116 .0110 -.0025 .0014 .0012 |
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O8 .1641 .25 .35051 .0087 .0144 .0062 .0055 0 -.0018 0 |
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O9 .25468 .35117 .44805 .00697 .0088 .0059 .0062 .0004 -.0017 -.0010 |
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O10 .7611 .25 .27224 .0081 .0064 .0072 .0109 0 -.0003 0 |
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O11 .75011 .46640 .48808 .00487 .0040 .0058 .0048 -.0002 .0001 .0000 |
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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 (permalink) |
| |
|
Dumortierite |
|
Groat L A, Evans R J, Grew E S, Pieczka A |
| |
The Canadian Mineralogist 50 (2012) 855-872 |
|
The crystal chemistry of As- and Sb-bearing dumortierite |
|
Sample: D67 |
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Locality: the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica |
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_database_code_amcsd 0019562 |
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4.6995 11.7790 20.1671 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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AlA .348 .75 .24931 .30 .00642 |
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Al1 .413 .75 .25011 .42 .00642 |
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AlB .465 .75 .2507 .12 .00642 |
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Al2 .55801 .61028 .472362 .9926 .00453 .00453 .00417 .00487 -.00018 -.00027 -.00015 |
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Al3 .05978 .49104 .430841 .9900 .00445 .00417 .00471 .00447 .00005 -.00011 -.00012 |
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Al4 .05696 .35809 .288563 .9924 .00589 .00629 .00564 .00574 -.00009 -.00049 .00120 |
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Si1 .08747 .75 .404975 .00563 .00451 .00412 .00825 0 -.00026 0 |
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Si2 .58740 .52501 .327921 .00561 .00504 .00663 .00515 .00005 .00006 -.00083 |
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B .2254 .25 .41616 .0056 .0053 .0059 .0057 0 -.0001 0 |
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O1 .37688 .75 .45354 .00582 .0051 .0042 .0082 0 -.0013 0 |
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O2 .1477 .75 .32501 .01066 .0111 .0129 .0080 0 .0015 0 |
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O3 .89586 .63937 .42397 .00550 .0047 .0044 .0074 -.0003 .0003 -.0002 |
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O4 .39912 .43669 .28250 .00579 .0051 .0067 .0056 .0000 .0002 -.0009 |
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O5 .39527 .55070 .39328 .00553 .0052 .0064 .0050 -.0008 .00001 -.0009 |
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O6 .88086 .45479 .34985 .00631 .0057 .0075 .0057 .0009 -.0005 -.0016 |
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O7 .64639 .64080 .28635 .01080 .0122 .0085 .0117 -.0012 .0011 .0020 |
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O8 .1605 .25 .35081 .00717 .0128 .0044 .0044 0 -.0024 0 |
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O9 .25519 .35121 .44821 .00622 .0083 .0044 .0059 .0006 -.0018 -.0007 |
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O10 .76073 .25 .27190 .00696 .0059 .0057 .0093 0 -.0006 0 |
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O11 .75038 .46621 .48795 .00459 .0044 .0044 .0050 -.0001 -.0001 -.0001 |
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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 (permalink) |
| |
|
Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
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Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
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and infra-red spectroscopy |
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Sample: DUM1 |
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Locality: Gfohl unit, Lower Austria |
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_database_code_amcsd 0007091 |
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4.6900 11.7875 20.1823 90 90 90 Pnma |
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atom x y z occ Uiso |
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AlM1 .6024 .75 .74985 .78 .0271 |
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MgM1 .6024 .75 .74985 .09 .0271 |
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TiM1 .6024 .75 .74985 .01 .0271 |
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AlM2 .05807 .11044 .472510 .93 .00578 |
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TiM2 .05807 .11044 .472510 .03 .00578 |
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AlM3 .44028 .00893 .568913 .94 .00587 |
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FeM3 .44028 .00893 .568913 .02 .00587 |
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AlM4 .44231 .14142 .711001 .98 .00753 |
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SiT1 .58715 .25 .40541 .85 .00717 |
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AlT1 .58715 .25 .40541 .15 .00717 |
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SiT2 .91289 -.02418 .671678 .995 .00710 |
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AlT2 .91289 -.02418 .671678 .005 .00710 |
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B .2749 .25 .58386 .0088 |
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O1 .8769 .25 .45419 .0102 |
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O2 .3375 .25 .64938 .723 .0110 |
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OH2 .3375 .25 .64938 .27 .0110 |
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F2 .3375 .25 .64938 .007 .0110 |
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O3 .39605 .13933 .42443 .00916 |
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O4 .09935 .06414 .71730 .00947 |
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O5 .10440 -.05002 .60651 .00905 |
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O6 .61931 .04612 .64971 .01037 |
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O7 .8507 -.13869 .71307 .723 .01500 |
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OH7 .8507 -.13869 .71307 .27 .01500 |
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F7 .8507 -.13869 .71307 .007 .01500 |
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O8 .6511 .25 .32635 .0151 |
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O9 .24556 .14885 .55201 .00975 |
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O10 .7387 .25 .72778 .0112 |
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O11 .74983 .03358 .51196 .00821 |
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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 (permalink) |
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Dumortierite |
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Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
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European Journal of Mineralogy 17 (2005) 173-183 |
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Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
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and infra-red spectroscopy |
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Sample: DUM2 |
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Locality: Gfohl unit, Lower Austria |
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_database_code_amcsd 0007092 |
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4.6948 11.8037 20.2106 90 90 90 Pnma |
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atom x y z occ Uiso |
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AlM1 .6045 .75 .74985 .74 .0277 |
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MgM1 .6045 .75 .74985 .12 .0277 |
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TiM1 .6045 .75 .74985 .01 .0277 |
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AlM2 .05808 .11043 .472535 .94 .00568 |
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TiM2 .05808 .11043 .472535 .01 .00568 |
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FeM2 .05808 .11043 .472535 .01 .00568 |
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AlM3 .44026 .00893 .568892 .93 .00550 |
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TiM3 .44026 .00893 .568892 .03 .00550 |
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AlM4 .44214 .14144 .710922 .98 .00741 |
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SiT1 .58718 .25 .40559 .85 .00695 |
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AlT1 .58718 .25 .40559 .15 .00695 |
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SiT2 .91298 -.02388 .671550 .99 .00683 |
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AlT2 .91298 -.02388 .671550 .01 .00683 |
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B .2749 .25 .58384 .0082 |
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O1 .8767 .25 .45429 .0099 |
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O2 .3365 .25 .64939 .714 .0108 |
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OH2 .3365 .25 .64939 .283 .0108 |
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F2 .3365 .25 .64939 .003 .0108 |
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O3 .39593 .13930 .42450 .00874 |
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O4 .09924 .06427 .71729 .00903 |
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O5 .10440 -.04995 .60648 .00875 |
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O6 .61918 .04632 .64962 .01006 |
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O7 .8502 -.13825 .71292 .714 .0145 |
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OH7 .8502 -.13825 .71292 .283 .0145 |
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F7 .8502 -.13825 .71292 .003 .0145 |
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O8 .6516 .25 .32667 .0146 |
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O9 .24548 .14892 .55200 .00951 |
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O10 .7385 .25 .72775 .0107 |
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O11 .74984 .03342 .51193 .00764 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Dumortierite |
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Moore P B, Araki T |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 132 (1978) 231-241 |
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Dumortierite, Si3B[Al6.75[]0.25O17.25(OH)0.75]: a detailed structure analysis |
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Locality: Saharina, Madagascar |
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_database_code_amcsd 0019939 |
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11.828 20.243 4.7001 90 90 90 Pmcn |
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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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All .75 .24995 .3953 .75 .00078 .00026 .04312 0 0 .00041 |
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Al2 .61033 .47248 .5584 .00039 .00012 .00236 -.00001 0 -.00004 |
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Al3 .49098 .43097 .0602 .00051 .00014 .00247 -.00001 .00002 -.00002 |
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Al4 .35848 .28895 .0580 .00061 .00020 .00460 .00010 -.00009 -.00019 |
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Si1 .75 .40559 .0875 .00073 .00046 .00412 0 0 -.00002 |
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Si2 .52444 .32817 .5877 .00120 .00030 .00456 -.00011 .00000 .00002 |
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B .25 .41617 .2256 .00113 .00034 .00298 0 0 .00002 |
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O1 .75 .45385 .3744 .00076 .00042 .00490 0 0 -.00010 |
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O2 .75 .32625 .1513 .75 .00212 .00050 .00802 0 0 .00076 |
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OH2 .75 .32625 .1513 .25 .00212 .00050 .00802 0 0 .00076 |
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O3 .63935 .42436 .8941 .00079 .00035 .00508 .00002 .00002 .00006 |
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O4 .43599 .28250 .3985 .00117 .00027 .00544 -.00007 -.00006 .00010 |
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O5 .55011 .39346 .3932 .00103 .00026 .00494 -.00006 -.00012 .00010 |
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O6 .45414 .35017 .8792 .00121 .00029 .00557 -.00012 -.00003 -.00018 |
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O7 .63922 .28679 .6502 .75 .00174 .00058 .00885 .00012 -.00077 .00044 |
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OH7 .63922 .28679 .6502 .25 .00174 .00058 .00885 .00012 -.00077 .00044 |
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O8 .25 .35087 .1643 .00089 .00032 .00824 0 0 -.00034 |
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O9 .35086 .44798 .2543 .00104 .00031 .00474 .00000 .00025 -.00034 |
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O10 .25 .27218 .7610 .00115 .00055 .00322 0 0 -.00017 |
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O11 .46651 .48802 .75 .00086 .00027 .00219 .00000 -.00007 -.00002 |
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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 (permalink) |
| |
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