American Mineralogist Crystal Structure Database

4 matching records for this search.

Rutile
Download hom/rutile.pdf
Howard C J, Sabine T M, Dickson F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=462
Acta Crystallographica B47 (1991) 462-468
Structural and thermal parameters for rutile and anatase
Locality: synthetic
_database_code_amcsd 0019092
4.5937 4.5937 2.9587 90 90 90 P4_2/mnm
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0      0      0  .0068 -.0004      0  .0068      0  .0046
O    .30478 .30478      0  .0052 -.0020      0  .0052      0  .0035
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View JMOL 3-D Structure (permalink)
 
Anatase
Download hom/anatase.pdf
Howard C J, Sabine T M, Dickson F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=462
Acta Crystallographica B47 (1991) 462-468
Structural and thermal parameters for rutile and anatase
Locality: synthetic
_database_code_amcsd 0019093
3.7845 3.7845 9.5143 90 90 90 I4_1/amd
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0      0      0  .0052      0      0  .0052      0  .0070
O         0      0 .20806  .0117      0      0  .0027      0  .0072
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View JMOL 3-D Structure (permalink)
 
Christite
Download hom/christite.pdf
Brown K L, Dickson F W
Download zk/vol144/ZK144_367.pdf
Zeitschrift fur Kristallographie 144 (1976) 367-376
The crystal structure of synthetic christite, HgTlAsS3
Locality: synthetic
_database_code_amcsd 0010787
6.113 16.188 6.111 90 96.71 90 P2_1/n
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl   .1633 .45039 .3366  .0279  .0382  .0350  .0025  .0073 -.0038
Hg   .0793 .25013 .9207  .0303  .0294  .0407 -.0033  .0001 -.0027
As   .5759  .3916 .9254  .0195  .0221  .0309 -.0018  .0059  .0022
S1   .2046  .3917 .8587   .018   .032   .029   .002  -.005  -.003
S2   .1419  .2408 .3559   .019   .031   .024  -.004   .002   .004
S3   .1421  .1077 .7962   .019   .022   .033   .001  -.001   .002
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View JMOL 3-D Structure (permalink)
 
Betafite
Download hom/betafite.pdf
Dickson F J, Hawkins K D, White T J
 
Journal of Solid State Chemistry 82 (1989) 146-150
Calcium uranium titanate - a new pyrochlore
Locality: synthetic
_database_code_amcsd 0013665
10.1579 10.1579 10.1579 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z  occ
CaA      0    0    0  .46
UA       0    0    0  .54
Ti4+B   .5   .5   .5 .965
Ti3+B   .5   .5   .5  .03
O1    .420 .125 .125
O2    .125 .125 .125
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: 4
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