American Mineralogist Crystal Structure Database

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Philolithite
Download hom/philolithite.pdf
Moore P B, Kampf A R, Sen Gupta P K
Download am/vol85/AM85_810.pdf
American Mineralogist 85 (2000) 810-816
The crystal structure of philolithite, a trellis-like open
framework based on cubic closest-packing of anions
Locality: Langban mines, Filipstad district, Varmland, Sweden
_database_code_amcsd 0002461
12.627 12.627 12.595 90 90 90 *P4_2/nnm
-.25 .25 -.25
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  .05999 -.05999 .61863     .0141  .0142  .0142  .0139  .0015 -.0003  .0003
Pb2  .40559  .26285 .59807     .0130  .0141  .0140  .0110  .0004 -.0013  .0013
Mn1     .75     .25    .75      .016   .018   .018   .012      0      0      0
Mn2       0       0      0 .46  .015   .014   .014   .019  -.008   .003  -.003
Mg2       0       0      0 .54  .015   .014   .014   .019  -.008   .003  -.003
Mn3   .1660  -.1660  .9841 .68  .012   .011   .011   .012  -.000  -.001   .001
Mg3   .1660  -.1660  .9841 .32  .012   .011   .011   .012  -.000  -.001   .001
S       .75     .25    .25      .014   .016   .016   .012      0      0      0
C      .092   -.092   .211      .011
O1     .682   -.682   .184      .024
O2     .152   -.152   .160      .027
O3     .027   -.027   .160      .022
O4     .092   -.092   .313      .032
O5      .25     .25      0      .014
O6     .083    .083     .5      .005
OH7    .167   -.167   .497      .014
OH8    .166    .003   .970      .012
Cl    .0968     .25    .25      .023   .025   .032   .012      0      0  -.004
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