American Mineralogist Crystal Structure Database

1 matching records for this search.

Aristarainite
Download hom/aristarainite.pdf
Ghose S, Wan C
Download am/vol62/AM62_979.pdf
American Mineralogist 62 (1977) 979-989
Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of
hexaborate polyanions
_database_code_amcsd 0000598
18.886 7.521 7.815 90 97.72 90 P2_1/a
atom      x     y     z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg        0     0     0          .00070 .00554 .00410  .00045  .00017  .00009
Na   .15952 .3596 .2899          .00157 .02380 .01059 -.00167 -.00001 -.00302
B1   .43470 .3460 .3264          .00066 .00528 .00350  .00006 -.00010 -.00027
B2   .38760 .1974 .0335          .00065 .00470 .00421  .00000  .00028 -.00027
B3   .30083 .4000 .1834          .00062 .00544 .00377  .00022  .00013 -.00041
B4   .47496 .0483 .2533          .00117 .00659 .00523  .00067  .00092  .00065
B5   .25658 .1548 .9888          .00078 .00429 .00448 -.00009  .00009  .00064
B6   .33928 .4416 .4961          .00102 .00684 .00515  .00039  .00037 -.00020
O1   .47237 .1790 .3709          .00114 .00685 .00475  .00091 -.00037 -.00005
Oh2  .48064 .4734 .2541          .00094 .00852 .00385 -.00110 -.00001 -.00028
O3   .37300 .3084 .1864          .00060 .00486 .00354  .00015 -.00001 -.00030
O4   .40957 .4121 .4814          .00083 .00773 .00376  .00002  .00014 -.00092
O5   .43580 .0515 .0943          .00105 .00556 .00475  .00069  .00014 -.00031
Oh6  .42279 .3154 .9188          .00075 .00528 .00423 -.00025  .00042 -.00060
O7   .32265 .1240 .9421          .00066 .00723 .00552 -.00053  .00031 -.00208
O8   .24590 .2806 .1069          .00061 .00639 .00680 -.00031  .00033 -.00177
O9   .19713 .0630 .9168          .00057 .00617 .00783 -.00021  .00009 -.00208
O10  .28768 .4373 .3579          .00080 .01054 .00453  .00080  .00019 -.00114
Oh11 .48078 .0953 .7071          .00340 .01275 .00404  .00480  .00038  .00107
O12  .31871 .4800 .6537          .00137 .02170 .00438  .00226  .00034 -.00154
OW13 .08086 .2036 .0388          .00087 .00671 .00790  .00008  .00041  .00061
OW14 .16514 .3779 .5931          .00392 .03457 .02377  .00174  .00380  .00026
H1     .489  .491  .667       .8
H2     .438  .238  .842      1.2
H3     .476  .118  .599      1.4
H4     .348  .444  .741      1.4
H5     .073  .309  .983      1.0
H6     .119  .161 -.007      2.4
H7     .166  .502  .562      3.2
H8a    .184  .367  .715  .5  5.0
H8b    .117  .289  .585  .5  3.6
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