American Mineralogist Crystal Structure Database

3 matching records for this search.

Despujolsite
Download hom/despujolsite.pdf
Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=67&spage=47
Acta Crystallographica E67 (2011) i47-i48
Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0018458
8.5405 8.5405 10.8094 90 90 120 P-62c
atom     x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .1521 .30348     .25 .01085  .0137 .00918 .00980  .0058      0      0
Mn       0      0       0 .00846 .00919 .00919  .0070 .00460      0      0
S      1/3    2/3  .02544 .00936 .01001 .01001  .0081 .00501      0      0
O1     1/3    2/3 -.11153  .0167  .0213  .0213  .0075  .0107      0      0
O2   .2419 .47842  .06891  .0188   .027  .0106  .0170   .008   .004  .0033
Oh3  .8945  .0966  .11070  .0109  .0084  .0148  .0107  .0067 -.0006 -.0004
OW4  .5006  .4853     .25  .0171   .019   .023  .0136  .0138      0      0
H1    .836   .125    .076   .026
H2    .521   .445    .193   .046
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Despujolsite
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Gaudefroy C, Granger M M, Permingeat F, Protas J
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 91 (1968) 43-50
La despujolsite, une nouvelle espece minerale
Locality: Tachgagalt, Morocco
_database_code_amcsd 0012127
8.56 8.56 10.76 90 90 120 P-62c
atom      x       y       z  Biso
Ca   .30222  .14553     .25  .879
Mn        0       0       0  .641
S       2/3     1/3  .02513  .890
O1      2/3     1/3 -.11152  2.02
OH3  .10255  .20292  .11114 1.160
Wat2 .49811 -.01992     .25  2.28
O4   .47747  .25376  .06805 1.363
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View JMOL 3-D Structure (permalink)
 
Despujolsite
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Mereiter K, Walter F, Bojar H P
 
Mineralogy and Petrology 117 (2023) s00710-023-00837-y
Mallestigite, Pb3Sb(SO4)(AsO4)(OH)63H2O, from the type locality - new data,
crystal structure, and structural relationships
Note: refined with the structure factors from Barkley et al (2011)
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0021226
8.5405 8.5405 10.8094 90 90 120 P6_3/mmc
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Mn        0      0       0 .00849 .00923 .00923 .00702 .00461       0      0
Ca   .15175 .30350     .25 .01089 .01254 .00900 .00996 .00450       0      0
S       1/3    2/3  .02545 .00937 .00997 .00997 .00815 .00499       0      0
O1      1/3    2/3 -.11154 .01666 .02114 .02114 .00770 .01057       0      0
O2   .23918 .47837  .06887 .01887 .02401 .01059 .01752 .00530  .00160 .00320
O3H  .89895 .10105  .11072 .01153 .01274 .01274 .01095 .00776 -.00013 .00013
O4W  .50750 .49250     .25 .01845 .02386 .02386 .01377 .01653       0      0
H1   .85462 .14538  .07534 .02980
H2   .53919 .46081  .19384 .05604
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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Total number of retrieved datasets: 3
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