|
Dioptase |
 |
Ribbe P H, Gibbs G V, Hamil M |
 |
American Mineralogist 62 (1977) 807-811 |
|
A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O |
|
Locality: Reneville, Congo |
|
_database_code_amcsd 0000587 |
|
14.566 14.566 7.778 90 90 120 R-3 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu .40646 .40251 .06300 .00037 .00059 .00146 -.00005 -.00028 -.00044 |
|
Si .17563 .21741 .04130 .00051 .00045 .00118 .00030 -.00003 .00004 |
|
O1 .07147 .18088 -.0827 .00088 .00129 .00273 .00068 .00007 -.00010 |
|
O2 .28070 .29949 -.0641 .00055 .00087 .00144 .00014 -.00004 -.00026 |
|
O3 .15994 .26776 .21390 .00082 .00134 .00142 .00080 -.00059 -.00084 |
|
OW .14217 .18201 .57850 .00304 .00281 .00469 .00195 .00053 -.00090 |
|
H1 .146 .106 .559 .00152 .00152 .00401 .00076 0 0 |
|
H2 .109 .162 .680 .00208 .00208 .00548 .00104 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Dioptase |
|
Belokoneva E L, Gubina Y K, Forsyth J B, Brown P J |
| |
Physics and Chemistry of Minerals 29 (2002) 430-438 |
|
The charge-density distribution, its multipole refinement and the |
|
antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O |
|
_database_code_amcsd 0008642 |
|
8.819 8.819 8.819 111.7 111.7 111.7 R-3 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .05885 .46983 -.33953 .00936 .00403 .00383 .00327 .00272 .00212 |
|
Si .08274 .21666 -.17614 .00306 .00380 .00417 .0015 .0014 .0018 |
|
O1 .0263 -.0119 -.2636 .0064 .0047 .0099 .0036 .0037 .0038 |
|
O2 -.0458 .2162 -.3635 .0059 .0066 .0062 .0032 .0025 .0045 |
|
O3 .3225 .3744 -.0534 .0049 .0052 .0117 .0031 .0046 .0041 |
|
O4 .6187 .7197 .3966 .0170 .0184 .0156 .0090 .0081 .0072 |
|
H1 .5278 .7079 .4344 .06 |
|
H2 .7546 .8019 .5168 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
