American Mineralogist Crystal Structure Database

2 matching records for this search.

Baricite
Download hom/baricite.pdf
Takagi S, Mathew M, Brown W E
Download am/vol71/AM71_1229.pdf
American Mineralogist 71 (1986) 1229-1233
Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O
_database_code_amcsd 0001049
10.034 13.407 4.657 90 105.09 90 C2/m
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0      0     0  .0072  .0101  .0066      0  .0012      0
Mg2       0 .39054     0  .0101  .0092  .0084      0  .0030      0
P    .31452      0 .3843  .0078  .0104  .0071      0  .0026      0
O1    .1575      0 .3709  .0090  .0173  .0095      0  .0031      0
O2    .3947      0 .7144  .0113  .0129  .0086      0  .0026      0
O3    .3455  .0956 .2303  .0124  .0125  .0111  .0005  .0041  .0008
OW1   .4013  .3866 .1916  .0140  .0196  .0135  .0007  .0037 -.0024
OW2   .1010  .2787 .2802  .0250  .0167  .0147  .0020  .0042  .0011
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View JMOL 3-D Structure (permalink)
 
Baricite
Download hom/baricite.pdf
Yakubovich O V, Massa W, Liferovich R P, McCammon C A
Download cm/vol39/CM39_1317.pdf
The Canadian Mineralogist 39 (2001) 1317-1324
The crystal structure of baricite, (Mg1.70Fe1.30)(PO4)2.8H2O
_database_code_amcsd 0005742
10.085 13.390 4.6713 90 104.96 90 C2/m
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe(1)      .0     .0     .5  .63 .0111  .0081  .0138  .0103     .0  .0005     .0
Mg(1)      .0     .0     .5  .37 .0111  .0081  .0138  .0103     .0  .0005     .0
Fe(2)      .5 .11050     .5 .335 .0109  .0094  .0122  .0105     .0  .0018     .0
Mg(2)      .5 .11050     .5 .665 .0109  .0094  .0122  .0105     .0  .0018     .0
P      .68507     .0 .11955      .0107  .0084  .0130  .0101     .0  .0014     .0
O(1)   -.3946     .0 -.2084      .0133  .0107  .0158  .0125     .0  .0012     .0
O(2)   -.1582     .0  .1307      .0137  .0097  .0177  .0131     .0  .0020     .0
O(3)  -.65471 .09621 -.2743      .0135  .0126  .0141  .0132  .0008  .0025  .0012
OW(4)  .10049 .11636  .3037      .0158  .0127  .0188  .0152  .0001  .0021 -.0003
OW(5) -.60123 .22338 -.7828      .0184  .0211  .0171  .0170  .0008  .0049  .0003
H(1)     .134   .094   .152       .022
H(2)    -.554   .280  -.794       .030
H(3)     .180   .122   .439       .031
H(4)    -.623   .203  -.958       .034
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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