American Mineralogist Crystal Structure Database

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Atencioite
 
Rastsvetaeva R K, Barinova A V, Chukanov N V, Pietraszko A
 
Doklady Chemistry 398 (2004) 191-195
Crystal structure of a magnesium-rich triclinic analogue of greifensteinite
Locality: Galileia, Minas Gerais, Brazil
_database_code_amcsd 0019973
6.668 9.879 9.883 73.53 85.60 86.93 P-1
atom        x     y     z occ Biso
Ca      .7457 .2605 .7382     1.18
Fe2+M1      0     0     0  .5 1.39
Mn2+M1      0     0     0  .2 1.39
AlM1        0     0     0  .1 1.39
MgM2       .5     0     0  .2  1.6
MgM3    .4925 .9934 .6636 .55 1.10
Fe3+M3  .4925 .9934 .6636 .25 1.10
Fe2+M3  .4925 .9934 .6636 .20 1.10
Fe2+M4 -.0021 .6674 .9904 .55 1.33
MgM4   -.0021 .6674 .9904 .45 1.33
P1      .2469 .2703 .7252      .91
P2      .4800 .6962 .9304      .88
P3     -.0245 .9322 .6973      .79
Be1      .698  .513  .153      1.4
Be2      .808 .8436  .494       .8
O1      .2012 .9602 .3264       .9
O2      .7000 .3267 .9591      1.1
O3      .4487 .6199 .8173      1.2
O4      .3259 .3657 .9937      1.2
O5      .6671 .5873 .2810      1.4
O6      .4214 .1622 .7539      1.2
O7      .0697 .2300 .8409      1.3
O8      .5059 .8541 .8596      1.0
O9      .1737 .0037 .6309      1.1
O10     .1573 .2814 .5848      1.3
O11     .9383 .8173 .6263      1.2
O12    -.0004 .1357 .1418      1.2
OH1     .5613 .8630 .5379       .9
OH2     .9349 .4636 .1370      1.2
Wat3    .7204 .0408 .9571      2.3
OW1     .2189 .4887 .3268      1.5
OW2      .274 .6714 .5153      2.1
H1      -.194  .573 -.415        3
H2      -.315  .546 -.276        3
H3       .799  .289  .454        3
H4       .767  .400  .510        3
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