American Mineralogist Crystal Structure Database

2 matching records for this search.

Ozerovaite
 
Ben Yahia H, Nilges T, Rodewald U C, Pottgen R
 
Materials Research Bulletin 45 (2010) 2017-2023
New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
Locality: Synthetic
_database_code_amcsd 0020625
10.5049 20.482 6.3574 90 90 90 Cmca
atom     x       y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .2263   .2292   .124 .23   .069   .069   .036   .102   .026   .037  -.003
Na1  .2263   .2292   .124 .14   .069   .069   .036   .102   .026   .037  -.003
Na2      0   .1629  .0566 .76  .0491   .067   .063   .018      0      0  -.004
Al1      0       0     .5      .0100  .0079  .0136  .0086      0      0  .0001
Al2    .25  .09158    .75      .0106  .0077  .0151  .0090      0 -.0009      0
As1      0  .34546 .05952     .01072  .0077  .0149  .0095      0      0 -.0009
As2    .25  .04441    .25     .01004  .0091  .0137  .0073      0 .00048      0
O1       0   .4149 -.0867      .0130  .0137  .0145   .011      0      0  .0006
O2       0   .2821 -.1010      .0214   .027   .019   .018      0      0 -.0067
O3   .1369 -.01464  .2971      .0113  .0096  .0152  .0092  .0021  .0019 -.0007
O4   .2108  .09074  .0460      .0135  .0150  .0174  .0080  .0014  .0028  .0006
O5   .1265  .34672  .2230      .0146  .0106  .0182  .0151 -.0037 -.0028  .0022
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View JMOL 3-D Structure (permalink)
 
NaKAl2O(AsO4)2
 
Ben Yahia H, Nilges T, Rodewald U C, Pottgen R
 
Materials Research Bulletin 45 (2010) 2017-2023
New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
Locality: Synthetic
_database_code_amcsd 0020627
8.2368 5.5228 17.0160 90 90 90 Pnma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Na    .5896    .25 .36500  .0299  .0475  .0235  .0187      0  -.0045      0
K    .45218    .75 .23191  .0221  .0183  .0312  .0167      0  -.0049      0
Al1  .78193    .75 .06151  .0062  .0041  .0047  .0096      0  -.0005      0
Al2      .5      0      0  .0050  .0041  .0024  .0084 -.0002  -.0013  .0004
As1  .69010    .25 .14812 .00598 .00714 .00462 .00620      0 -.00132      0
As2  .17059    .75 .05973 .00560 .00356 .00547 .00776      0  .00105      0
O1    .5980    .25  .2332  .0189  .0221  .0263  .0085      0   .0046      0
O2    .8096  .0037 .13400  .0113  .0115  .0069  .0155  .0043  -.0052 -.0027
O3    .5424    .25 .07610  .0064  .0070  .0050  .0072      0  -.0033      0
O4    .2713 -.0001 .02605  .0081  .0056  .0042  .0146 -.0012   .0008  .0017
O5    .1696    .75  .1555  .0220  .0173   .045  .0041      0   .0008      0
O6    .9852    .75  .0198  .0097  .0034  .0104  .0153      0  -.0012      0
O7    .5571    .75 .06339  .0056  .0048  .0042  .0078      0  -.0016      0
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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