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Rossmanite |
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Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K |
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American Mineralogist 83 (1998) 896-900 |
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Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: |
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Description and crystal structure |
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Locality: Rozna, Moravia, Czech Republic |
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_database_code_amcsd 0002029 |
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15.770 15.770 7.085 90 90 120 R3m |
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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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NaX 0 0 .84080 .43 .0237 .0237 .0193 .01185 0 0 |
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AlY .06084 .93916 .4373 .72 .0051 .0051 .0079 .0014 .0012 -.0012 |
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LiY .06084 .93916 .4373 .28 .0051 .0051 .0079 .0014 .0012 -.0012 |
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AlZ .25942 .29637 .4656 .0069 .0046 .0045 .0029 -.0010 -.0001 |
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SiT .18965 .19163 .0721 .0041 .0045 .0050 .0021 .0005 .0002 |
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B .89078 .10922 .6198 .0053 .0053 .0051 .0021 .0000 .0000 |
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OH1 0 0 .3015 .83 .0216 .0216 .0082 .0108 0 0 |
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F1 0 0 .3015 .10 .0216 .0216 .0082 .0108 0 0 |
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O1 0 0 .3015 .07 .0216 .0216 .0082 .0108 0 0 |
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O2 .93952 .06048 .5809 .0138 .0138 .0108 .0112 -.0001 .0001 |
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OH3 .12998 .87002 .5647 .0095 .0095 .0065 -.0012 .0011 -.0011 |
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O4 .90516 .09484 -.0017 .0066 .0066 .0083 -.0001 -.0003 .0003 |
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O5 .09386 .90614 -.0229 .0075 .0075 .0077 -.0001 -.0010 .0010 |
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O6 .18346 .19363 .2988 .0081 .0079 .0051 .0034 .0003 .0000 |
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O7 .28630 .28694 -.0034 .0054 .0062 .0061 .0017 .0014 -.0003 |
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O8 .27035 .20965 .6359 .0087 .0049 .0079 .0035 -.0031 -.0009 |
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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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Rossmanite |
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Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
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American Mineralogist 90 (2005) 481-487 |
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Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
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Austria: Structure, chemistry, and infrared and optical spectroscopic study |
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Sample: REDT1 |
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Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 |
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(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] |
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Tourmaline |
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Locality: Eibenstein an der Thaya, Lower Austria |
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_database_code_amcsd 0003738 |
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15.8031 15.8031 7.0877 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .46 .0275 |
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CaX 0 0 .25 .01 .0275 |
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AlY .12146 .06073 -.3362 .790 .00814 |
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LiY .12146 .06073 -.3362 .110 .00814 |
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Mn2Y .12146 .06073 -.3362 .083 .00814 |
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Fe2Y .12146 .06073 -.3362 .013 .00814 |
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Ti4Y .12146 .06073 -.3362 .003 .00814 |
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AlZ .29651 .25999 -.3643 .00762 |
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SiT .19154 .18958 .0303 .912 .00598 |
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BT .19154 .18958 .0303 .042 .00598 |
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AlT .19154 .18958 .0303 .047 .00598 |
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B .10956 .21912 .4803 .0077 |
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O1 0 0 -.2052 .86 .0149 |
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OH1 0 0 -.2052 .10 .0149 |
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F1 0 0 -.2052 .04 .0149 |
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O2 .06065 .12131 .5205 .0130 |
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O3 .25787 .12893 -.4636 .0126 |
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O4 .09524 .19049 .1043 .0124 |
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O5 .18806 .09403 .1258 .0127 |
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O6 .19340 .18302 -.1974 .00945 |
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O7 .28717 .28662 .1044 .00906 |
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O8 .20959 .27052 .4649 .00910 |
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H3 .251 .1256 .423 .95 .053 |
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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) |
| |
|
Rossmanite |
| |
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
|
American Mineralogist 90 (2005) 481-487 |
|
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
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Austria: Structure, chemistry, and infrared and optical spectroscopic study |
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Sample: REDT4 |
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Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 |
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(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] |
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Tourmaline |
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Locality: Eibenstein an der Thaya, Lower Austria |
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_database_code_amcsd 0003739 |
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15.8171 15.8171 7.0935 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .46 .0278 |
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CaX 0 0 .25 .01 .0278 |
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AlY .12150 .06075 -.3364 .783 .0087 |
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LiY .12150 .06075 -.3364 .107 .0087 |
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Mn2Y .12150 .06075 -.3364 .093 .0087 |
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Fe2Y .12150 .06075 -.3364 .013 .0087 |
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Ti4Y .12150 .06075 -.3364 .004 .0087 |
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AlZ .29652 .26001 -.3646 .00795 |
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SiT .19152 .18960 .0302 .918 .00585 |
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AlT .19152 .18960 .0302 .042 .00585 |
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BT .19152 .18960 .0302 .040 .00585 |
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B .10969 .21937 .4801 .0084 |
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O1 0 0 -.2049 .86 .0148 |
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OH1 0 0 -.2049 .10 .0148 |
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F1 0 0 -.2049 .04 .0148 |
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O2 .06064 .12128 .5202 .0134 |
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O3 .25794 .12897 -.4638 .0128 |
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O4 .09530 .19060 .1038 .0133 |
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O5 .18804 .09402 .1252 .0138 |
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O6 .19336 .18311 -.1976 .0101 |
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O7 .28715 .28675 .1038 .0093 |
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O8 .20954 .27049 .4646 .0098 |
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H3 .246 .1231 .415 .933 .054 |
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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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