American Mineralogist Crystal Structure Database

2 matching records for this search.

Hoelite
Download hom/hoelite.pdf
Prakash A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=22&spage=439
Acta Crystallographica 22 (1967) 439-440
Refinement of the crystal structure of anthraquinone
_database_code_amcsd 0009309
15.810 3.942 7.895 90 102.72 90 P2_1/a
atom     x    y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
C1   .1314 .417  .3985        .050   .640   .162   .030  -.002  -.026
C2   .0507 .271  .3406        .046   .765   .138   .041   .025  -.016
C3   .0277 .139  .1742        .032   .433   .167   .022   .030   .000
C4   .0850 .155  .0616        .026   .488   .166   .033   .041   .032
C5   .1662 .296  .1215        .033   .648   .219  -.019   .053   .046
C6   .1894 .427  .2894        .043   .618   .211   .016  -.032  -.109
C7   .0605 .014 -.1157        .033   .660   .152   .041   .051   .049
O8   .1109 .023 -.2119        .044  1.503   .171  -.111   .081  -.190
H1    .145 .514   .519  3.5
H2    .007 .245   .416  3.5
H5    .207 .323   .036  3.5
H6    .246 .565   .337  3.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hoelite
Download hom/hoelite.pdf
Murty B V R
Download zk/vol113/ZK113_445.pdf
Zeitschrift fur Kristallographie 113 (1960) 445-465
Refinement of the structure of anthraquinone
_database_code_amcsd 0010586
15.810 3.942 7.865 90 102.72 90 P2_1/a
atom     x    y      z
CA'  .1313 .418  .3968
CB'  .0515 .274  .3401
CC'  .0272 .142  .1729
CE   .0832 .153  .0623
CF   .1650 .298  .1202
CG   .1899 .432  .2853
CD   .0595 .013 -.1163
O    .1098 .026 -.2145
HF    .202 .324   .048
HG    .250 .584   .326
HA'   .150 .544   .512
HB'   .016 .278   .409
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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