American Mineralogist Crystal Structure Database

1 matching records for this search.

Vladkrivovichevite
 
Siidra O I, Krivovichev S V, Turner R W, Rumsey M S, Spratt J
 
American Mineralogist 98 (2013) 256-261
Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures:
Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O
Locality: Kombat mine, Grootfontein, Namibia
_database_code_amcsd 0019712
12.759 27.169 11.515 90 90 90 *Pmmn
.75 .75 0
atom      x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .60145 -.03386 .08290     .0061  .0014  .0063  .0106  .0018  .0011  .0001
Pb2  .40209 -.10963 .91911     .0080  .0050  .0066  .0125 -.0025 -.0004  .0002
Pb3  .59916 -.03388 .75152     .0063  .0021  .0061  .0109  .0015  .0000 -.0001
Pb4  .59906  .10875 .74916     .0064  .0034  .0047  .0113 -.0016 -.0016  .0003
Pb5  .59914     .25 .41533     .0081  .0046  .0071  .0129      0  .0033      0
Pb6  .59687     .25 .74897     .0077  .0041  .0060  .0129      0 -.0026      0
Pb7  .39464  .17892 .57936     .0077  .0026  .0041  .0165  .0019  .0000 -.0002
Pb8  .60101  .10589 .41831     .0070  .0041  .0052  .0119 -.0015  .0016 -.0013
Pb9  .59948 -.03728 .41594     .0062  .0018  .0050  .0119  .0002  .0006 -.0005
Pb10    .25  .15335  .0814     .0229  .0138  .0225  .0324      0      0  .0027
Pb11    .25     .25  .3013     .0194  .0153  .0255  .0173      0      0      0
Pb12    .25     .25 -.1511     .0192  .0113  .0242  .0220      0      0      0
Mn    .0809     .25  .0831     .0080   .019   .000   .004      0      0      0
Cl1     .75   .0408  .5857      .016   .014   .012   .024      0      0   .005
Cl2     .25   .1161  .4095      .021   .013   .017   .033      0      0  -.014
Cl3     .75   .1845  .5793      .019   .021   .009   .028      0      0   .000
Cl4     .75   .0393  .2387      .015   .019   .012   .015      0      0  -.001
Cl5     .25   .1170  .7540      .016   .007   .019   .024      0      0  -.002
Cl6     .25  -.0421  .0806      .018   .012   .018   .027      0      0   .008
Cl7A -.1794     .25   .087  .5  .028
Cl7B -.0977     .25   .059  .5  .028
O1    .5056   .0393   .758      .007   .005   .009   .009   .000  -.003  -.006
O2    .4878  -.0400   .919      .007   .006   .006   .009   .003  -.001  -.002
O3    .5123  -.1224   .759      .019   .032   .008   .018  -.001   .002   .002
O4    .4750   .1875   .780      .014   .022   .008   .014  -.004  -.001  -.002
O5    .4821   .1856   .384      .018   .027   .021   .007  -.014   .006  -.009
O6    .5169  -.1257   .073      .012   .013   .007   .017   .002  -.003   .006
O7      .25     .25   .104      .036   .029    .05    .02      0      0      0
O8    .6334  -.1952  .0479      .013
O9    .1223   .3075   .212      .022
O10   .5041   .0377   .411      .010
O11   .5011   .1156   .581      .010
O12   .5145     .25   .581      .010
Wat1   -.25   .3162   .231  .5  .025
Wat2   -.25   .3167  -.089  .5  .057
B1    .4501   .1684   .282      .010
B2    .5554  -.1718   .115      .010
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