American Mineralogist Crystal Structure Database

2 matching records for this search.

Hydroxyl-bastnasite-(Ce)
Download hom/hydroxylbastnasitece.pdf
Yang H, Dembowski R F, Conrad P G, Downs R T
Download am/vol93/AM93_698.pdf
American Mineralogist 93 (2008) 698-701
Crystal structure and Raman spectrum of hydroxyl-bastnasite-(Ce), CeCO3(OH)
Note: changed Ce3(z) to .2579 according to authors
Locality: Trimouns, Luzenac, France
_database_code_amcsd 0004568
12.4112 12.4112 9.8511 90 90 120 P-6
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ce1  .1099 .2290 .2395 .50 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Nd1  .1099 .2290 .2395 .24 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
La1  .1099 .2290 .2395 .23 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Y1   .1099 .2290 .2395 .03 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Ce2  .4385 .2171 .2555 .50 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Nd2  .4385 .2171 .2555 .24 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
La2  .4385 .2171 .2555 .23 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Y2   .4385 .2171 .2555 .03 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Ce3  .1050 .5591 .2579 .50 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
Nd3  .1050 .5591 .2579 .24 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
La3  .1050 .5591 .2579 .23 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
Y3   .1050 .5591 .2579 .03 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
C1   .4896 .3571     0      .019 .02091 .01587 .02072  .01061       0       0
C2   .2012 .0893     0      .010 .00611 .01337 .00824  .00256       0       0
C3   .3015 .4669     0      .022 .01672 .02271 .02155  .00573       0       0
C4   .5518 .4178    .5      .013 .01628 .01096 .01121  .00913       0       0
C5   .2397 .4656    .5      .011 .01865 .00655 .00515  .00494       0       0
C6   .2028 .0255    .5      .010 .01125 .00699 .00956  .00400       0       0
O1   .4887 .2479     0      .025 .02315 .02957 .01126  .00514       0       0
O2   .4924 .4052 .1139      .014 .02507 .01163 .00697  .01039 -.00075 -.00124
O3   .0288 .1690     0      .014 .00602 .01812 .01395  .00219       0       0
O4   .2341 .1490 .1136      .010 .00832 .01286 .00910  .00598 -.00206 -.00329
O5   .1619 .5875     0      .029 .03082 .03535 .01499  .01125       0       0
O6   .2515 .4195 .1130      .016 .01357 .01455 .00620 -.00223  .00119  .00273
O7   .4997 .2993    .5      .014 .01271 .02244 .01019  .01170       0       0
O8   .5185 .0962 .3865      .012 .01829 .01186 .01005  .01000 -.00519 -.00216
O9   .3596 .5242    .5      .013 .01508 .01439 .00677  .00436       0       0
O10  .1787 .4333 .3863      .010 .01262 .01287 .00621  .00852 -.00497 -.00235
O11  .0819 .1799    .5      .012 .01212 .02296 .01091  .01594       0       0
O12  .2511 .0738 .3868      .010 .01217 .00893 .00587  .00208  .00321  .00137
OH1      0     0 .2681 .65  .019 .01603 .01603 .02355  .00802       0       0
F1       0     0 .2681 .35  .019 .01603 .01603 .02355  .00802       0       0
OH2    2/3   1/3 .2375 .65  .022 .01478 .01478 .03605  .00739       0       0
F2     2/3   1/3 .2375 .35  .022 .01478 .01478 .03605  .00739       0       0
OH3    1/3   2/3 .2377 .65  .018 .01448 .01448 .02562  .00724       0       0
F3     1/3   2/3 .2377 .35  .018 .01448 .01448 .02562  .00724       0       0
OH4  .3226 .3212 .3217 .65  .018 .01772 .01448 .02295  .00898 -.00044 -.00175
F4   .3226 .3212 .3217 .35  .018 .01772 .01448 .02295  .00898 -.00044 -.00175
OH5  .3438 .0002 .1793 .65  .018 .01799 .02112 .01619  .01069 -.00203 -.00050
F5   .3438 .0002 .1793 .35  .018 .01799 .02112 .01619  .01069 -.00203 -.00050
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hydroxylbastnasite-(Ce)
Download hom/hydroxylbastnasitece.pdf
Yang H, Dembowski R F, Conrad P G, Downs R T
Download am/vol93/AM93_698.pdf
American Mineralogist 93 (2008) 698-701
Crystal structure and Raman spectrum of hydroxyl-bastnasite-(Ce), CeCO3(OH)
Note: changed Ce3(z) to .2579 according to authors
Locality: Trimouns, Luzenac, France
_database_code_amcsd 0004569
12.4112 12.4112 9.8511 90 90 120 P-6
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ce1  .1099 .2290 .2395 .50 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Nd1  .1099 .2290 .2395 .24 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
La1  .1099 .2290 .2395 .23 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Y1   .1099 .2290 .2395 .03 .0075 .00791 .00662 .00746  .00328  .00173 -.00010
Ce2  .4385 .2171 .2555 .50 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Nd2  .4385 .2171 .2555 .24 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
La2  .4385 .2171 .2555 .23 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Y2   .4385 .2171 .2555 .03 .0087 .00619 .00715 .01206  .00274 -.00005  .00288
Ce3  .1050 .5591 .2579 .50 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
Nd3  .1050 .5591 .2579 .24 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
La3  .1050 .5591 .2579 .23 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
Y3   .1050 .5591 .2579 .03 .0077 .00625 .00717 .00931  .00299 -.00019  .00183
C1   .4896 .3571     0      .019 .02091 .01587 .02072  .01061       0       0
C2   .2012 .0893     0      .010 .00611 .01337 .00824  .00256       0       0
C3   .3015 .4669     0      .022 .01672 .02271 .02155  .00573       0       0
C4   .5518 .4178    .5      .013 .01628 .01096 .01121  .00913       0       0
C5   .2397 .4656    .5      .011 .01865 .00655 .00515  .00494       0       0
C6   .2028 .0255    .5      .010 .01125 .00699 .00956  .00400       0       0
O1   .4887 .2479     0      .025 .02315 .02957 .01126  .00514       0       0
O2   .4924 .4052 .1139      .014 .02507 .01163 .00697  .01039 -.00075 -.00124
O3   .0288 .1690     0      .014 .00602 .01812 .01395  .00219       0       0
O4   .2341 .1490 .1136      .010 .00832 .01286 .00910  .00598 -.00206 -.00329
O5   .1619 .5875     0      .029 .03082 .03535 .01499  .01125       0       0
O6   .2515 .4195 .1130      .016 .01357 .01455 .00620 -.00223  .00119  .00273
O7   .4997 .2993    .5      .014 .01271 .02244 .01019  .01170       0       0
O8   .5185 .0962 .3865      .012 .01829 .01186 .01005  .01000 -.00519 -.00216
O9   .3596 .5242    .5      .013 .01508 .01439 .00677  .00436       0       0
O10  .1787 .4333 .3863      .010 .01262 .01287 .00621  .00852 -.00497 -.00235
O11  .0819 .1799    .5      .012 .01212 .02296 .01091  .01594       0       0
O12  .2511 .0738 .3868      .010 .01217 .00893 .00587  .00208  .00321  .00137
OH1      0     0 .2681 .65  .019 .01603 .01603 .02355  .00802       0       0
F1       0     0 .2681 .35  .019 .01603 .01603 .02355  .00802       0       0
OH2    2/3   1/3 .2375 .65  .022 .01478 .01478 .03605  .00739       0       0
F2     2/3   1/3 .2375 .35  .022 .01478 .01478 .03605  .00739       0       0
OH3    1/3   2/3 .2377 .65  .018 .01448 .01448 .02562  .00724       0       0
F3     1/3   2/3 .2377 .35  .018 .01448 .01448 .02562  .00724       0       0
OH4  .3226 .3212 .3217 .65  .018 .01772 .01448 .02295  .00898 -.00044 -.00175
F4   .3226 .3212 .3217 .35  .018 .01772 .01448 .02295  .00898 -.00044 -.00175
OH5  .3438 .0002 .1793 .65  .018 .01799 .02112 .01619  .01069 -.00203 -.00050
F5   .3438 .0002 .1793 .35  .018 .01799 .02112 .01619  .01069 -.00203 -.00050
Download AMC data (View Text File)
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: 2
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