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Dumortierite |
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Alexander V D, Griffen D T, Martin T J |
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American Mineralogist 71 (1986) 786-794 |
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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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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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| |
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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: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA |
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O5y and O11x have been editted |
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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
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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: #10, USNM 96698, from Petaca, New Mexco, USA |
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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
|
| |
|
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: #11, USNM 141800, from Ambositra, Madagascar |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Staurolite |
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Alexander V D |
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American Mineralogist 74 (1989) 610-619 |
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Iron distribution in staurolite at room and low temperatures |
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sample at room temperature |
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7.865 16.580 5.668 90 90.38 90 C2/m |
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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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Fe .3897 0 .2471 .535 0.0150 0.0065 0.0164 0 -.0003 0 |
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Mg .3897 0 .2471 .233 0.0150 0.0065 0.0164 0 -.0003 0 |
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Zn .3897 0 .2471 .163 0.0150 0.0065 0.0164 0 -.0003 0 |
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Ti .3897 0 .2471 .022 0.0150 0.0065 0.0164 0 -.0003 0 |
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Al .3897 0 .2471 .018 0.0150 0.0065 0.0164 0 -.0003 0 |
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Si .1342 .1662 .2482 .902 0.0040 0.0063 0.0040 .0000 .0000 -.0001 |
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Al .1342 .1662 .2482 .098 0.0040 0.0063 0.0040 .0000 .0000 -.0001 |
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Al1A .5 .1751 0 .950 0.0029 0.0048 0.0009 0 -.0002 0 |
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Al1B .5 .1749 .5 .960 0.0038 0.0058 0.0018 0 .0006 0 |
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Al2 .2628 .4104 .2518 .970 0.0039 0.0060 0.0052 -.0002 -.0001 .0001 |
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Al3A 0 0 0 .572 0.0078 0.0086 0.0088 0 .0026 0 |
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Fe3A 0 0 0 .048 0.0078 0.0086 0.0088 0 .0026 0 |
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Al3B 0 0 .5 .298 0.0052 0.0065 0.0081 0 -.0031 0 |
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Fe3B 0 0 .5 .023 0.0052 0.0065 0.0081 0 -.0031 0 |
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Mn1 .5 0 0 .025 .0019 |
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Fe1 .5 0 0 .015 .0019 |
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Mn2 .5 0 .5 .015 .0175 |
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Fe2 .5 0 .5 .005 .0175 |
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O1A .2328 0 .9628 0.0126 0.0080 0.0075 0 .0016 0 |
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OH1B .2358 0 .5339 0.0153 0.0089 0.0083 0 .0002 0 |
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O2A .2558 .1614 .0152 0.0071 0.0087 0.0061 .0003 -.0002 -.0005 |
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O2B .2545 .1610 .4835 0.0079 0.0088 0.0056 -.0003 .0004 .0009 |
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O3 .0015 .0889 .2447 0.0063 0.0100 0.0119 .0003 .0000 -.0004 |
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O4 .0218 .2493 .2493 0.0072 0.0083 0.0059 .0007 -.0001 .0003 |
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O5 .5270 .0996 .2495 0.0049 0.0090 0.0046 -.0011 -.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
|
| |
|
Staurolite |
|
Alexander V D |
|
American Mineralogist 74 (1989) 610-619 |
|
Iron distribution in staurolite at room and low temperatures |
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sample at low temperature (liquid N2) |
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7.871 16.587 5.661 90 90.39 90 C2/m |
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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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Al .3901 0 .2472 .018 0.0129 0.0048 0.0137 0 -.0003 0 |
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Ti .3901 0 .2472 .022 0.0129 0.0048 0.0137 0 -.0003 0 |
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Zn .3901 0 .2472 .163 0.0129 0.0048 0.0137 0 -.0003 0 |
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Mg .3901 0 .2472 .233 0.0129 0.0048 0.0137 0 -.0003 0 |
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Fe .3901 0 .2472 .535 0.0129 0.0048 0.0137 0 -.0003 0 |
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Si .1342 .1662 .2482 .902 0.0031 0.0056 0.0031 -.0001 .0000 .0000 |
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Al .1342 .1662 .2482 .098 0.0031 0.0056 0.0031 -.0001 .0000 .0000 |
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Al1A .5 .1751 0 .950 0.0017 0.0035 0.0003 0 .0000 0 |
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Al1B .5 .1749 .5 .960 0.0028 0.0044 0.0011 0 .0003 0 |
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Al2 .2627 .4104 .2518 .970 0.0027 0.0048 0.0037 .0000 .0000 .0001 |
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Al3A 0 0 0 .572 0.0079 0.0067 0.0079 0 .0023 0 |
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Fe3A 0 0 0 .048 0.0079 0.0067 0.0079 0 .0023 0 |
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Al3B 0 0 .5 .298 0.0043 0.0046 0.0067 0 -.0021 0 |
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Fe3B 0 0 .5 .023 0.0043 0.0046 0.0067 0 -.0021 0 |
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Mn1 .5 0 0 .025 .0010 |
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Fe1 .5 0 0 .015 .0010 |
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Mn2 .5 0 .5 .015 .0176 |
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Fe2 .5 0 .5 .005 .0176 |
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O1A .2332 0 .9628 0.0107 0.0069 0.0057 0 .0017 0 |
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OH1B .2361 0 .5339 0.0130 0.0078 0.0064 0 .0002 0 |
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O2A .2559 .1614 .0150 0.0051 0.0074 0.0053 .0005 -.0003 .0000 |
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O2B .2547 .1609 .4837 0.0060 0.0068 0.0048 -.0002 .0005 .0004 |
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O3 .0016 .0889 .2446 0.0057 0.0087 0.0097 .0004 -.0004 .0000 |
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O4 .0217 .2492 .2492 0.0056 0.0069 0.0050 .0005 -.0002 .0002 |
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O5 .5270 .0996 .2496 0.0040 0.0080 0.0033 -.0014 -.0004 -.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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