American Mineralogist Crystal Structure Database

3 matching records for this search.

Wadsleyite
Download hom/wadsleyite.pdf
Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
Download am/vol90/AM90_61.pdf
American Mineralogist 90 (2005) 61-70
A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
Sample: ~150 wt ppm H2O
_database_code_amcsd 0003663
5.6998 11.4383 8.2573 90 90 90 Imma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mg1       0      0      0 .00440  .0047  .0036  .0049      0       0 -.00038
Mg2       0    .25 .97029 .00437  .0052  .0040  .0039      0       0       0
Mg3     .25 .12748    .25 .00470  .0042  .0044  .0056      0 -.00087       0
Si        0 .11978 .61685 .00305 .00302 .00288 .00324      0       0  .00018
O1        0    .25 .21689 .00441  .0044  .0040  .0048      0       0       0
O2        0    .25 .71691 .00473  .0066  .0032  .0043      0       0       0
O3        0 .98983 .25540 .00504  .0057  .0049  .0046      0       0   .0011
O4   .26133 .12261 .99250 .00473  .0045  .0049  .0048  .0000  .00080   .0001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wadsleyite
Download hom/wadsleyite.pdf
Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
Download am/vol90/AM90_61.pdf
American Mineralogist 90 (2005) 61-70
A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
Sample: ~3200 wt ppm H2O
_database_code_amcsd 0003664
5.6941 11.4597 8.2556 90 90 90 Imma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mg1       0      0      0 .00647  .0068  .0049  .0077      0       0  .00015
Mg2       0    .25 .97035 .00547  .0064  .0048  .0052      0       0       0
Mg3     .25 .12650    .25 .00571  .0050  .0064  .0057      0 -.00072       0
Si        0 .12011 .61651 .00367 .00348 .00373 .00379      0       0  .00003
O1        0    .25 .21848 .00600  .0048  .0064  .0068      0       0       0
O2        0    .25 .71663 .00541  .0077  .0042  .0044      0       0       0
O3        0 .98934 .25571 .00579  .0068  .0055  .0050      0       0   .0011
O4   .26098 .12288 .99297 .00559  .0049  .0060  .0058  .0000  .00087   .0001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wadsleyite
Download hom/wadsleyite.pdf
Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
Download am/vol90/AM90_61.pdf
American Mineralogist 90 (2005) 61-70
A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
Sample: ~9600 wt ppm H2O
_database_code_amcsd 0003665
5.6890 11.4830 8.2527 90 90 90 Imma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mg1       0      0      0 .00804  .0093  .0049  .0099      0       0   .0009
Mg2       0    .25 .97013 .00584  .0073  .0048  .0054      0       0       0
Mg3     .25 .12516    .25 .00660  .0054  .0084  .0060      0 -.00077       0
Si        0 .12033 .61619 .00460 .00479 .00470 .00432      0       0 -.00017
O1        0    .25 .21995 .00702  .0051  .0084  .0076      0       0       0
O2        0    .25 .71649 .00622  .0085  .0061  .0040      0       0       0
O3        0 .98863 .25578 .00663  .0068  .0074  .0058      0       0   .0007
O4   .26092 .12317 .99359 .00615  .0056  .0067  .0062  .0003  .00071   .0003
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: 3
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