American Mineralogist Crystal Structure Database

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Roedderite
Download hom/roedderite.pdf
Alietti E, Brigatti M F, Capedri S, Poppi L
Mineralogical Magazine 58 (1994) 655-662
The roedderite-chayesite series from Spanish lamproites:
crystal chemical characterization
Locality: Cancarix, Albacete province, Spain
_database_code_amcsd 0014513
10.135 10.135 14.320 90 90 120 P6/mcc
atom        x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
KC          0      0    .25 .80 1.64 .005030 .005030 .002194 .002531        0        0
NaC         0      0    .25 .20 1.64 .005030 .005030 .002194 .002531        0        0
NaB       1/3    2/3 -.0188 .10  1.0
MgA       1/3    2/3    .25 .86  .84 .002596 .002596 .001134 .001298        0        0
Fe3+A     1/3    2/3    .25 .14  .84 .002596 .002596 .001134 .001298        0        0
MgT2       .5     .5    .25 .86  .83 .001915 .005062 .000805 .002531        0        0
Fe3+T2     .5     .5    .25 .14  .83 .001915 .005062 .000805 .002531        0        0
SiT1   .23807 .35288 .39065      .80 .002726 .002986 .000878 .001590  .000099  .000139
O1      .1299  .3943      0     1.66 .007302 .005874 .001097 .003245        0        0
O2      .2197  .2777 .13325     1.50 .005062 .005744 .001902 .003602  .000080  .000099
O3      .1552  .4967 .17230     1.10 .003375 .003667 .001341 .001720 -.000159 -.000358
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