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Povondraite |
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Grice J D, Ercit T S, Hawthorne F C |
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American Mineralogist 78 (1993) 433-436 |
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Povondraite, a redefinition of the tourmaline ferridravite |
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Note: Atomic parameters updated by Grice on 11/20/2001 |
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Locality: San Francisco mine, Villa Tunari, Bolivia |
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_database_code_amcsd 0001555 |
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16.186 16.186 7.444 90 90 120 R3m |
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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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NaX 0 0 .2277 .80 .023 .0171 .0171 .0340 .00855 0 0 |
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KX 0 0 .2277 .20 .023 .0171 .0171 .0340 .00855 0 0 |
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FeY .1224 .0612 .6429 .85 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
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MgY .1224 .0612 .6429 .15 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
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FeZ .2987 .2627 .6124 .72 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
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MgZ .2987 .2627 .6124 .23 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
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AlZ .2987 .2627 .6124 .05 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
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SiT .1892 .1876 0 .006 .0056 .0043 .0097 .0028 -.0010 -.0010 |
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B .1097 .2194 .4558 .0095 .0118 .0046 .0078 .0023 .0003 .0006 |
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O1 0 0 .7718 .88 .007 .0077 .0077 .0077 .00385 0 0 |
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OH1 0 0 .7718 .12 .007 .0077 .0077 .0077 .00385 0 0 |
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O2 .0610 .1220 .4905 .010 .0101 .0041 .0130 .0020 .0009 .0018 |
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O3 .2578 .1289 .5123 .009 .0122 .0077 .0088 .0061 -.0026 -.0013 |
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O4 .0924 .1848 .0692 .011 .0082 .0156 .0126 .0078 -.0058 -.0029 |
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O5 .1826 .0913 .0866 .010 .0102 .0040 .0183 .0051 .0005 .0002 |
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O6 .1922 .1829 .7838 .008 .0114 .0069 .0083 .0057 -.0004 -.0016 |
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O7 .2811 .2813 .0754 .010 .0086 .0068 .0119 .0020 -.0002 -.0009 |
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O8 .2070 .2679 .4420 .010 .0053 .0097 .0175 .0045 .0038 .0055 |
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H3 .2411 .1205 .4027 .02 |
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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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Povondraite |
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Grice J D, Ercit T S |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
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Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
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Sample: Povondraite 144478 |
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Locality: San Francisco mine, Villa Tu nari, Bolivia |
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_database_code_amcsd 0018783 |
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16.186 16.186 7.444 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .228 .79 .0273 |
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KX 0 0 .228 .26 .0273 |
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MgY .12238 .06119 .6430 .0167 .0064 |
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Fe2Y .12238 .06119 .6430 .1433 .0064 |
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VY .12238 .06119 .6430 .0033 .0064 |
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Fe3Y .12238 .06119 .6430 .8367 .0064 |
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AlZ .2987 .2627 .6124 .0533 .0057 |
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Fe3Z .2987 .2627 .6124 .6467 .0057 |
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MgZ .2987 .2627 .6124 .3 .0057 |
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SiT .1892 .1876 0 .99 .0061 |
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BT .1892 .1876 0 .01 .0061 |
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B .1097 .2194 .456 .0086 |
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O1 0 0 .772 .70 .0073 |
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OH1 0 0 .772 .30 .0073 |
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O2 .0609 .1218 .491 .0094 |
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O3 .2578 .1289 .513 .0088 |
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O4 .0924 .1848 .069 .0108 |
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O5 .1826 .0913 .087 .0099 |
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O6 .1923 .1829 .784 .0081 |
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O7 .2810 .2813 .075 .0096 |
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O8 .2069 .2678 .442 .0101 |
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H3 .242 .121 .41 .0100 |
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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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