American Mineralogist Crystal Structure Database

3 matching records for this search.

CaCoSi2O6
 
Mantovani L, Tribaudino M, Mezzadri F, Calestani G, Bromiley G
 
American Mineralogist 98 (2013) 1241-1252
The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+
substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg)
Sample: Ca0.8Co0.2
Locality: synthetic
_database_code_amcsd 0019911
9.794 8.953 5.243 90 105.66 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)
CaM2      0  .3012    .25 .80  .0072  .0096  .0048  .0052       0 -.0013       0
CoM2      0  .2722    .25 .20  .0241
CoM1      0 .90729    .25     .00614  .0067  .0056  .0057       0 .00113       0
Si   .28801 .09234 .23231     .00515  .0054  .0046  .0054 -.00044  .0013 -.00049
O1   .11780 .08846  .1473      .0071  .0055  .0076  .0080   .0005  .0015   .0003
O2   .36175 .24860  .3239      .0103  .0125  .0073  .0115  -.0029  .0043  -.0015
O3   .35101 .01981  .9949      .0080  .0072  .0103  .0068   .0002  .0026  -.0021
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View JMOL 3-D Structure (permalink)
 
CaCoSi2O6
 
Mantovani L, Tribaudino M, Mezzadri F, Calestani G, Bromiley G
 
American Mineralogist 98 (2013) 1241-1252
The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+
substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg)
Sample: Ca0.6Co0.4
Locality: synthetic
_database_code_amcsd 0019912
9.7754 8.9686 5.2421 90 106.302 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)
CaM2      0  .3003    .25 .60  .0093  .0108  .0080  .0079       0  .0005       0
CoM2      0  .2650    .25 .40  .0174  .0125   .028  .0099       0      0       0
CoM1      0 .90634    .25     .00685  .0073  .0070  .0064       0 .00211       0
Si   .29023 .09144 .23706     .00626  .0062  .0061  .0073 -.00083  .0032 -.00113
O1   .11863 .08856  .1477      .0081  .0070  .0098  .0075   .0009  .0021   .0002
O2    .3646  .2478  .3327      .0144  .0167  .0096  .0206  -.0058  .0112  -.0048
O3   .35143  .0223  .9972      .0100  .0064  .0170  .0073       0  .0030  -.0033
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
CaCoSi2O6
 
Mantovani L, Tribaudino M, Mezzadri F, Calestani G, Bromiley G
 
American Mineralogist 98 (2013) 1241-1252
The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+
substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg)
Sample: Ca0.4Co0.6
Locality: synthetic
_database_code_amcsd 0019913
9.747 8.982 5.249 90 107.46 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)
CaM2      0  .2966  .2500 .40  .0118  .0136   .009  .0108   .000 -.0001   .000
CoM2      0  .2580  .2500 .60  .0144  .0141  .0122  .0149   .000  .0013   .000
CoM1      0 .90516  .2500     .00975  .0107  .0083  .0105   .000 .00360   .000
Si   .29396 .08997 .24760     .00976  .0102  .0071  .0128 -.0013  .0047 -.0011
O1    .1203 .08864  .1501      .0105  .0111  .0097  .0109  .0009  .0036  .0001
O2    .3699  .2457  .3474      .0186  .0215  .0112  .0290 -.0074  .0167 -.0080
O3   .35286  .0231 1.0067      .0200  .0102  .0290  .0202  .0011  .0036 -.0117
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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