American Mineralogist Crystal Structure Database

5 matching records for this search.

Hydroromarchite
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Abrahams I, Grimes S M, Johnston S R, Knowles J C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=52&spage=286
Acta Crystallographica C52 (1996) 286-288
Tin(II) oxyhydroxide by X-ray powder diffraction
Locality: synthetic
7.9268 7.9268 9.1025 90 90 90 P-42_1c
atom      x     y      z Uiso
Sn1   .1218 .2917 -.0038 .027
Sn2       0     0  .2757 .032
O2   -.0974 .1945  .1277 .019
OH1   .2606 .0900  .1730 .019
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Ludlamite
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Abrahams S C, Bernstein J L
 
Journal of Chemical Physics 44 (1966) 2223-2229
Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K
Sample: T = 298 K
10.541 4.646 9.324 90 100.430 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)
Fe1       0      0      0      .00164 .00875 .00193      0 .00037       0
Fe2  .17324 .06801 .32881      .00146 .00959 .00225 .00032 .00040  .00015
P    .45353 .96908 .23790      .00118 .00713 .00181 .00013 .00036 -.00004
O1    .0345  .7847  .1976       .0021  .0102  .0026 -.0008  .0005   .0007
O2    .4087  .1565  .1007       .0017  .0102  .0025 -.0002  .0005   .0009
O3    .3326  .8543  .2907       .0017  .0090  .0030 -.0003  .0009   .0006
O4    .0357  .3518  .3588       .0019  .0114  .0024  .0010  .0003   .0008
O5    .1708  .2422  .1019       .0016  .0119  .0034  .0003  .0006   .0013
O6    .3282  .3873  .4563       .0022  .0121  .0030  .0002  .0006  -.0004
H1     .149   .414   .059  2.5
H2     .244   .161   .094  2.5
H3     .341   .567   .398  2.5
H4     .377   .287   .453  2.5
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Ludlamite
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Abrahams S C
 
Journal of Chemical Physics 44 (1966) 2230-2237
Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K
Sample: T = 4.2 K
10.541 4.638 9.285 90 100.728 90 P2_1/a
atom     x     y     z Biso
Fe1      0     0     0  .18
Fe2  .1727 .0729 .3287  .26
P    .4524 .9724 .2372  .30
O1   .0353 .7837 .2003  .64
O2   .4086 .1544 .0989  .39
O3   .3324 .8515 .2919  .33
O4   .0344 .3551 .3596  .70
O5   .1702 .2412 .0992  .39
O6   .3265 .3846 .4539  .38
H1   .1429 .4321 .0639 2.26
H2   .2650 .2035 .0918 1.60
H3   .3304 .5676 .3953 1.42
H4   .4064 .2780 .4443 1.33
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Gallite
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Abrahams S C, Bernstein J L
 
Journal of Chemical Physics 59 (1973) 5415-5420
Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites
Locality: Synthetic sample
5.34741 5.34741 10.47429 90 90 90 I-42d
atom      x   y    z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu        0   0    0 1.42 .01179 .01179 .00306      0      0      0
Ga        0   0   .5  .76 .00691 .00691 .00182      0      0      0
S    .25385 .25 .125  .83 .00097 .01680 .00178      0      0 .00035
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Roquesite
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Abrahams S C, Bernstein J L
 
Journal of Chemical Physics 59 (1973) 5415-5420
Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites
Note: Synthetic sample
5.52279 5.52279 11.13295 90 90 90 I-42d
atom      x   y    z   Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu        0   0    0   1.60 .01315 .01315 .00317      0      0      0
In        0   0   .5   1.02 .00851 .00851 .00198      0      0      0
S    .22946 .25 .125   1.02 .00918 .00694 .00210      0      0 -.0019
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Total number of retrieved datasets: 5
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