American Mineralogist Crystal Structure Database

2 matching records for this search.

Li2(Mg,Cu)Cu2[Si2O6]2
 
Horiuchi H, Saito A, Tachi T, Nagasawa H
Download am/vol82/AM82_143.pdf
American Mineralogist 82 (1997) 143-148
Structure of synthetic Li2(Mg,Cu)Cu2[Si2O6]2: A unique chain silicate
related to pyroxene
_database_code_amcsd 0001860
5.7068 7.4784 5.2193 99.911 97.436 84.52 P-1
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg        0      0      0 .87  .0038  .0018  .0043 -.0006  .0023 -.0005
Cu        0      0      0 .13  .0038  .0018  .0043 -.0006  .0023 -.0005
Cu   .83770 .18327 .50890     .00337 .00188  .0048 -.0004 .00181 .00009
Si1   .4093  .1859  .7795      .0017  .0019  .0035  .0000  .0009  .0002
Si2   .2224  .3721  .3003      .0017  .0016  .0031  .0001  .0004  .0001
Li     .760   .409   .073       .005   .013   .025   .000  -.002   .010
O1    .6845  .0955  .7625      .0023  .0041  .0069  .0009  .0018  .0015
O2    .4109  .3111  .0762      .0029  .0034  .0044 -.0005  .0019 -.0008
O3    .3602  .3430  .5862      .0042  .0032  .0049 -.0008 -.0010  .0019
O4    .1953  .0543  .7306      .0032  .0024  .0057 -.0011  .0012 -.0003
O5    .1354  .5789  .2764      .0058  .0018  .0069  .0004  .0007  .0002
O6   -.0014  .2467  .2285      .0028  .0023  .0048 -.0005  .0011  .0001
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Orthopyroxene
 
Tachi T, Horiuchi H, Nagasawa H
 
Physics and Chemistry of Minerals 24 (1997) 463-476
Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6,
and behavior of Cu2+ in the orthopyroxene structure
_database_code_amcsd 0008029
18.221 8.890 5.2260 90 90 90 Pbca
atom      x       y     z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
MgM1 .12430   .3474 .3864       .42  .0004  .0008  .0043   .0000 -.00004   .0001
MgM2 .12494 -.00781 .3813 .436  .48  .0005 .00087  .0046  .00007  .00036  .00046
CuM2 .12494 -.00781 .3813 .564  .48  .0005 .00087  .0046  .00007  .00036  .00046
SiTA .22621  -.1610 .0739       .29 .00027 .00065  .0028  .00008 -.00007  -.0001
SiTB .02583  -.3374 .2821       .34 .00036 .00068  .0029  .00004 -.00009  -.0001
O1A   .1856   .3355 .0635       .52 .00039  .0014  .0052 -.00002   .0001 -.00002
O2A   .1875   .0015 .0742       .67 .00067  .0010  .0074   .0004   .0001   .0004
O3A   .1945  -.2282 .3485       .63 .00052  .0022  .0045  .00010  -.0004   .0012
O1B   .0637   .1590 .2156       .44 .00035  .0012  .0044  .00006  -.0001   .0004
O2B   .0678   .5123 .1931       .58 .00068  .0011  .0045  .00020  -.0001  -.0004
O3B   .0508  -.2056 .0760       .58 .00052  .0020  .0037 -.00024   .0000   .0014
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