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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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View JMOL 3-D Structure
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Schwartzembergite |
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Welch M D, Hawthorne F C, Cooper M A, Kyser T K |
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The Canadian Mineralogist 39 (2001) 785-795 |
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Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3 |
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_database_code_amcsd 0005721 |
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3.977 3.977 12.566 90 90 90 I4/mmm |
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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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Pb 0 0 .1421 .833 .0024 .0024 .0022 0 0 0 |
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I 0 0 .185 .167 .0011 .0011 .0031 0 0 0 |
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Cl 0 0 .5 .0024 .0024 .0040 0 0 0 |
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O .5 0 .25 .0031 .0031 .0032 0 0 0 |
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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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