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Magnesiocarpholite |
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Fuchs Y, Mellini M, Memmi I |
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European Journal of Mineralogy 13 (2001) 533-543 |
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Crystal-chemistry of magnesiocarpholite: controversial X-ray |
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diffraction, Mossbauer, FTIR and Raman results |
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Locality: Monte Argentario |
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_database_code_amcsd 0006870 |
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13.716 20.084 5.110 90 90 90 *Ccca |
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0 -.25 -.25 |
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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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K 0 .75 .25 .004 .0100 |
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MgM1 0 .87500 .75 .65 .0084 .0068 .0091 .0094 0 .0014 0 |
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FeM1 0 .87500 .75 .35 .0084 .0068 .0091 .0094 0 .0014 0 |
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Al1 .19088 .75 .75 .985 .0060 .0060 .0061 .0060 0 0 .0004 |
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Al2 0 .96131 .25 .985 .0066 .0057 .0075 .0066 0 0 0 |
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Si .19355 .87981 .4167 .0059 .0051 .0065 .0062 .0005 .0000 .0002 |
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O1 .20599 .79991 .4310 .0081 .0085 .0070 .0089 .0005 .0007 .0001 |
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O2 .08047 .89933 .4085 .0084 .0070 .0096 .0087 .0014 .0002 .0015 |
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O3 .24801 .91275 .6711 .0091 .0097 .0096 .0080 -.0001 -.0025 -.0003 |
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Oh1 .09973 .80978 .8791 .987 .0113 .0108 .0126 .0106 .0031 .0005 .0003 |
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F1 .09973 .80978 .8791 .038 .0113 .0108 .0126 .0106 .0031 .0005 .0003 |
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Oh2 .06810 .96589 .9273 .987 .0083 .0058 .0103 .0087 .0006 .0009 .0008 |
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F2 .06810 .96589 .9273 .038 .0083 .0058 .0103 .0087 .0006 .0009 .0008 |
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H1 -.093 .801 .506 .987 .0610 |
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H2 .134 .963 .916 .987 .0240 |
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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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Magnesiocarpholite |
|
Fuchs Y, Mellini M, Memmi I |
| |
European Journal of Mineralogy 13 (2001) 533-543 |
|
Crystal-chemistry of magnesiocarpholite: controversial X-ray |
|
diffraction, Mossbauer, FTIR and Raman results |
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Locality: Monte Leoni |
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_database_code_amcsd 0006871 |
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13.726 20.099 5.112 90 90 90 *Ccca |
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0 -.25 -.25 |
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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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K 0 .75 .25 .004 .0100 |
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MgM1 0 .87524 .75 .65 .0073 .0058 .0079 .0084 0 .0013 0 |
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FeM1 0 .87524 .75 .35 .0073 .0058 .0079 .0084 0 .0013 0 |
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Al1 .19117 .75 .75 .99 .0056 .0054 .0052 .0061 0 0 .0004 |
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Al2 0 .96128 .25 .99 .0053 .0048 .0057 .0056 0 -.0001 0 |
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Si .19351 .87978 .4167 .0048 .0041 .0053 .0052 .0008 .0001 .0002 |
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O1 .20620 .79982 .4313 .0069 .0070 .0055 .0081 .0006 .0005 .0002 |
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O2 .08032 .89928 .4098 .0073 .0052 .0088 .0078 .0014 .0000 .0013 |
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O3 .24835 .91283 .6708 .0078 .0086 .0074 .0074 -.0004 -.0020 .0008 |
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Oh1 .09982 .80994 .8767 .99 .0101 .0090 .0105 .0107 .0040 .0000 -.0003 |
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F1 .09982 .80994 .8767 .03 .0101 .0090 .0105 .0107 .0040 .0000 -.0003 |
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Oh2 .06814 .96580 .9278 .99 .0071 .0046 .0088 .0079 .0010 .0008 .0003 |
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F2 .06814 .96580 .9278 .03 .0071 .0046 .0088 .0079 .0010 .0008 .0003 |
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H1 -.90 .801 .495 .99 .0680 |
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H2 .129 .959 .925 .99 .0310 |
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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 |
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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: 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
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Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
|
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
|
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 |
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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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