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Margarite-2M1 |
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Guggenheim S, Bailey S W |
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American Mineralogist 60 (1975) 1023-1029 |
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Refinement of the margarite structure in subgroup symmetry |
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_database_code_amcsd 0000477 |
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5.1038 8.8287 19.148 90 95.46 90 Cc |
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atom x y z occ Biso |
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Ca 0 .0932 .25 1.02 |
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Si1 .4647 .9285 .1416 .5 .99 |
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Si2 .5364 .0752 .8549 .5 .58 |
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Si3 .4567 .2572 .1444 .5 .61 |
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Si4 .5500 .7437 .8573 .5 .97 |
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Al1 .4647 .9285 .1416 .5 .99 |
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Al2 .5364 .0752 .8549 .5 .58 |
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Al3 .4567 .2572 .1444 .5 .61 |
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Al4 .5500 .7437 .8573 .5 .97 |
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Al5 .7469 .9187 .9997 .73 |
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Al6 .2510 .0863 .9998 .55 |
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H1 .3970 .6370 .0830 .78 |
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H2 .6030 .3630 .9170 .78 |
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O1 .9600 .4436 .0512 1.00 |
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O2 .0460 .5585 .9390 .50 |
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O3 .3950 .2540 .0568 .90 |
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O4 .6190 .7489 .9447 .70 |
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O5 .3670 .0974 .1775 1.10 |
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O6 .6410 .9167 .8226 .60 |
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O7 .2660 .7784 .1665 .50 |
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O8 .7110 .2140 .8304 1.10 |
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O9 .2870 .3926 .1785 .40 |
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O10 .7370 .6080 .8211 1.40 |
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O11 .4480 .5693 .0488 .40 |
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O12 .5430 .4417 .9468 1.00 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Margarite |
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Guggenheim S, Bailey S W |
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American Mineralogist 63 (1978) 186-187 |
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Refinement of the margarite structure in subgroup symmetry: correction, |
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further refinement, and comments |
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_database_code_amcsd 0000615 |
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5.104 8.829 19.148 90 95.5 90 Cc |
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atom x y z occ Biso |
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Ca 0 .0933 .25 .80 |
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Al1 .7449 .9177 .9996 .53 |
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Al2 .2488 .0858 -.0003 .44 |
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Si1 .4623 .9264 .1422 .5 .46 |
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Al1 .4623 .9264 .1422 .5 .46 |
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Si2 .4544 .2567 .1445 .5 .22 |
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Al2 .4544 .2567 .1445 .5 .22 |
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Si11 .5336 .0739 .8551 .5 .59 |
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Al11 .5336 .0739 .8551 .5 .59 |
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Si22 .5467 .7440 .8576 .5 .89 |
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Al22 .5467 .7440 .8576 .5 .89 |
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O1 .962 .4445 .0527 .50 |
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O2 .395 .2544 .0590 .50 |
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OH1 .449 .5696 .0507 .40 |
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O3 .366 .0974 .1781 .80 |
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O4 .267 .7782 .1682 .60 |
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O5 .289 .3924 .1788 .60 |
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O11 .045 .5614 .9401 .60 |
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O22 .618 .7502 .9468 .50 |
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OH11 .543 .4396 .9482 .80 |
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O33 .639 .9172 .8236 .50 |
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O44 .712 .2149 .8323 .60 |
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O55 .737 .6062 .8217 .70 |
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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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Margarite |
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Joswig W, Takeuchi Y, Fuess H |
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Zeitschrift fur Kristallographie 165 (1983) 295-303 |
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Neutron-diffraction study on the orientation of hydroxyl groups in margarite |
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Locality: Greiner, Zillertal, Autria |
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_database_code_amcsd 0019603 |
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5.108 8.844 19.156 90 95.48 90 Cc |
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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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Ca 0 .0929 .25 .725 .0090 .0112 .0112 -.0005 .0021 .0012 |
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Na 0 .0929 .25 .210 .0090 .0112 .0112 -.0005 .0021 .0012 |
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LiM1 .258 .242 .501 .105 .023 .023 .021 .005 .005 .001 |
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MgM1 .258 .242 .501 .105 .023 .023 .021 .005 .005 .001 |
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AlM2 .7480 .9169 .9998 .0025 .0047 .0058 .0001 .0007 .0000 |
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AlM3 .2522 .0851 .0003 .0052 .0042 .0054 .0018 .0003 -.0009 |
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AlT11 .4636 .9279 .1425 .0076 .0048 .0053 .0001 .0017 -.0005 |
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SiT12 .5350 .0747 .8553 .0023 .0044 .0062 -.0003 .0002 .0004 |
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SiT21 .4546 .2565 .14486 .0064 .0061 .0057 -.0002 .0003 -.0001 |
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AlT22 .5468 .7438 .8579 .0038 .0029 .0061 .0009 .0005 -.0004 |
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O11 .9611 .4455 .05259 .0065 .0067 .0069 -.0004 .0026 .0006 |
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O12 .0451 .5618 .94059 .0051 .0072 .0061 .0019 .0014 .0020 |
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O21 .3953 .2545 .06003 .0086 .0055 .0059 .0001 -.0023 -.0006 |
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O22 .6200 .7497 .94772 .0079 .0041 .0067 -.0012 .0006 -.0003 |
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O31 .3636 .0978 .17757 .0082 .0050 .0084 .0009 .0038 .0001 |
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O32 .6376 .9181 .82274 .0094 .0050 .0089 .0003 .0032 .0003 |
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O41 .2674 .7786 .16830 .0055 .0076 .0095 .0009 .0001 -.0018 |
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O42 .7122 .2156 .83231 .0053 .0070 .0109 .0029 .0007 -.0014 |
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O51 .2882 .3906 .17847 .0053 .0090 .0081 -.0018 -.0005 .0027 |
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O52 .7352 .6036 .82142 .0059 .0085 .0080 -.0013 .0000 .0019 |
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O61 .4547 .5670 .05169 .0065 .0090 .0069 -.0027 .0014 -.0016 |
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O62 .5489 .4361 .94891 .0073 .0087 .0100 -.0022 .0029 -.0033 |
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H11 .3663 .6550 .0620 .77 .016 .022 .061 -.018 .009 .004 |
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H12 .6325 .3452 .9396 .79 .033 .018 .056 -.011 .020 .002 |
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H21 .439 .591 .098 .21 .025 .053 .030 -.018 .016 -.001 |
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H22 .561 .399 .905 .21 .051 .044 .022 -.025 .019 -.035 |
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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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