American Mineralogist Crystal Structure Database

2 matching records for this search.

Aegirine-augite
 
Bertolo S, Nimis P, Dal Negro A
Download am/vol79/AM79_668.pdf
American Mineralogist 79 (1994) 668-674
Low-Ca augite from experimental alkali basalt at 18 kbar: Structural variation
near the miscibility gap
Atomic parameters from ICSD
9.689 8.824 5.280 90 107.60 90 C2/c
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .2874   .25 .774       .0208  .0325  .0196      0  .0020      0
Na       0 .2874   .25 .226       .0208  .0325  .0196      0  .0020      0
Mg       0 .9056   .25 .901       .0130  .0106  .0162      0  .0036      0
Fe1      0 .9056   .25 .099       .0130  .0106  .0162      0  .0036      0
Si   .2917 .0918 .2414            .0133  .0110  .0207 -.0002  .0056 -.0012
O1   .1154 .0868 .1413            .0143  .0170  .0217  .0019  .0049 -.0010
O2   .3679 .2522 .3329            .0269  .0145  .0334 -.0042  .0143 -.0064
O3   .3534 .0174 .0088            .0147  .0368  .0366 -.0008  .0059 -.0191
Fe2      0 .2229   .25 .011 .025
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Aegirine-augite
 
Ghose S, Kersten M, Langer K, Rossi G, Ungaretti L
 
Physics and Chemistry of Minerals 13 (1986) 291-305
Crystal field spectra and Jahn Teller effect of Mn3+
in clinopyroxene and clinoamphiboles from India
Note: variety blanfordite
9.6787 8.8394 5.2755 90 106.903 90 C2/c
atom      x      y      z  occ Biso
CaM2      0 .30020    .25  .34  .85
NaM2      0 .30020    .25  .66  .85
AlM1      0 .90098    .25  .02  .45
TiM1      0 .90098    .25  .01  .45
FeM1      0 .90098    .25  .52  .45
MnM1      0 .90098    .25  .09  .45
MgM1      0 .90098    .25  .36  .45
Al   .28911 .09109 .23338 .005  .35
Si   .28911 .09109 .23338 .995  .35
O1   .11465 .08185 .13927       .59
O2   .35967 .25376 .30926       .69
O3   .35132 .01229 .00546       .59
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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