American Mineralogist Crystal Structure Database

4 matching records for this search.

Akaganeite
Download hom/akaganeite.pdf
Post J E, Buchwald V F
Download am/vol76/AM76_272.pdf
American Mineralogist 76 (1991) 272-277
Crystal structure refinement of akaganeite
Locality: corrosion crust on the Camp del Cielo meteorite
_database_code_amcsd 0001349
10.600 3.0339 10.513 90 90.24 90 I2/m
atom    x y    z  occ Biso
Fe1  .858 0 .341       0.5
Fe2  .339 0 .141       0.5
O1   .663 0 .290       0.8
O2   .657 0 .030       0.8
O3   .293 0 .357       0.8
O4   .039 0 .332       0.8
Cl      0 0    0 .675  2.0
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Akaganeite
Download hom/akaganeite.pdf
Post J E, Heaney P J, Von Dreele R B, Hanson J C
Download am/vol88/AM88_782.pdf
American Mineralogist 88 (2003) 782-788
Neutron and temperature-resolved synchrotron X-ray powder diffraction
study of akaganeite
_database_code_amcsd 0003079
10.587 3.0311 10.515 90 90.03 90 I2/m
atom     x    y     z occ  Uiso
Fe1  .8544    0 .3424     .0167
Fe2  .3452    0 .1450     .0167
O1    .663    0 .2883     .0122
O2    .662    0 .0429     .0122
O3   .2946    0 .3351     .0122
O4   .0374    0  .325     .0122
Cl       0 .132     0 .42  .075
H1    .367 .098  .626  .5  .009
H2    .348 .056  .405  .5  .009
H3   -.105    0  .122 .32  .009
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Akaganeite
Download hom/akaganeite.pdf
Demourgues A, Wattiaux A
 
Journal of Fluorine Chemistry 132 (2011) 690-697
Investigation of Fe-based oxyhydroxy-fluoride with hollandite-type structure
Locality: synthetic
_database_code_amcsd 0021057
10.447 3.028 10.445 90 90.00 90 I2/m
atom     x    y     z occ Biso
Fe1  .8656    0 .3429     .686
Fe2  .3424    0 .1540     .722
O1   .8493   .5 .2111     .809
H1    .608 .078  .383 .15  1.0
F2   .8455   .5 .4670 .70 .508
O2   .8455   .5 .4670 .30 .508
O3   .2002   .5 .1633     .627
H3    .372 .077  .429 .15  1.0
F4   .0469    0 .3278 .70 .508
O4   .0469    0 .3278 .30 .508
Wat5     0   .5     0 .70  1.5
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View JMOL 3-D Structure (permalink)
 
Akaganeite
Download hom/akaganeite.pdf
Mackay A L
 
Mineralogical Magazine 32 (1960) 545-557
Beta-ferric oxyhydroxide
Locality: synthetic
_database_code_amcsd 0021056
10.48 10.48 3.023 90 90 90 I4/m
atom    x    y  z  occ
Fe   .348 .167  0
O    .153 .180  0  .46
OH   .153 .180  0  .54
OH   .542 .167  0  .54
O    .542 .167  0  .46
Cl      0    0 .5 .325
Wat     0    0 .5 .675
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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