American Mineralogist Crystal Structure Database

2 matching records for this search.

Eskebornite
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Delgado J M, Diaz de Delgado G, Quintero M, Woolley J C
 
Materials Research Bulletin 27 (1992) 367-373
The crystal structure of copper iron selenide, CuFeSe2
Locality: synthetic
_database_code_amcsd 0014365
5.530 5.530 11.049 90 90 90 P-42c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0     0     0  .0033  .0033  .0053      0      0      0
Cu2      0     0   .25  .0326  .0132  .0139      0      0      0
Fe       0    .5 .0001  .0118  .0044  .0146 -.0046      0      0
Se   .2487 .2597 .1254  .0014  .0085  .0088   .000  .0017  .0008
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Enargite
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Henao J A, Diaz de Delgado G, Delgado J M, Castrillo F J, Odreman O
 
Materials Research Bulletin 29 (1994) 1121-1127
Single-crystal structure refinement of enargite [Cu3AsS4]
Locality: mines of Bailadores in Merida, Venezuela
Note z-coordinate of S1 changed from .4592 to match reported bond lengths
_database_code_amcsd 0014370
7.426 6.4521 6.1631 90 90 90 Pmn2_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0 .1546 .4996 1.75  .0231  .0228  .0207      0      0 -.0025
Cu2  .2480 .3259 .0077 1.71  .0220  .0215  .0214  .0018  .0007 -.0016
As       0 .8279     0 0.88  .0105  .0114  .0113      0      0 -.0003
S1       0 .8234 .3592 1.01  .0139  .0142  .0104      0      0 -.0014
S2       0 .1496 .8750 1.13  .0142  .0123  .0162      0      0 -.0001
S3   .2557 .3348 .3795 1.13  .0126  .0141  .0158  .0007 -.0004 -.0007
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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