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Despujolsite |
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Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J |
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Acta Crystallographica E67 (2011) i47-i48 |
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Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O |
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Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa |
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_database_code_amcsd 0018458 |
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8.5405 8.5405 10.8094 90 90 120 P-62c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .1521 .30348 .25 .01085 .0137 .00918 .00980 .0058 0 0 |
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Mn 0 0 0 .00846 .00919 .00919 .0070 .00460 0 0 |
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S 1/3 2/3 .02544 .00936 .01001 .01001 .0081 .00501 0 0 |
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O1 1/3 2/3 -.11153 .0167 .0213 .0213 .0075 .0107 0 0 |
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O2 .2419 .47842 .06891 .0188 .027 .0106 .0170 .008 .004 .0033 |
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Oh3 .8945 .0966 .11070 .0109 .0084 .0148 .0107 .0067 -.0006 -.0004 |
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OW4 .5006 .4853 .25 .0171 .019 .023 .0136 .0138 0 0 |
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H1 .836 .125 .076 .026 |
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H2 .521 .445 .193 .046 |
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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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Despujolsite |
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Gaudefroy C, Granger M M, Permingeat F, Protas J |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 91 (1968) 43-50 |
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La despujolsite, une nouvelle espece minerale |
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Locality: Tachgagalt, Morocco |
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_database_code_amcsd 0012127 |
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8.56 8.56 10.76 90 90 120 P-62c |
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atom x y z Biso |
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Ca .30222 .14553 .25 .879 |
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Mn 0 0 0 .641 |
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S 2/3 1/3 .02513 .890 |
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O1 2/3 1/3 -.11152 2.02 |
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OH3 .10255 .20292 .11114 1.160 |
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Wat2 .49811 -.01992 .25 2.28 |
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O4 .47747 .25376 .06805 1.363 |
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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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Despujolsite |
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Mereiter K, Walter F, Bojar H P |
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Mineralogy and Petrology 117 (2023) s00710-023-00837-y |
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Mallestigite, Pb3Sb(SO4)(AsO4)(OH)6·3H2O, from the type locality - new data, |
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crystal structure, and structural relationships |
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Note: refined with the structure factors from Barkley et al (2011) |
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Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa |
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_database_code_amcsd 0021226 |
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8.5405 8.5405 10.8094 90 90 120 P6_3/mmc |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 0 0 .00849 .00923 .00923 .00702 .00461 0 0 |
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Ca .15175 .30350 .25 .01089 .01254 .00900 .00996 .00450 0 0 |
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S 1/3 2/3 .02545 .00937 .00997 .00997 .00815 .00499 0 0 |
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O1 1/3 2/3 -.11154 .01666 .02114 .02114 .00770 .01057 0 0 |
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O2 .23918 .47837 .06887 .01887 .02401 .01059 .01752 .00530 .00160 .00320 |
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O3H .89895 .10105 .11072 .01153 .01274 .01274 .01095 .00776 -.00013 .00013 |
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O4W .50750 .49250 .25 .01845 .02386 .02386 .01377 .01653 0 0 |
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H1 .85462 .14538 .07534 .02980 |
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H2 .53919 .46081 .19384 .05604 |
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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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