American Mineralogist Crystal Structure Database

5 matching records for this search.

MoAs2O7
 
Hums E, Burzlaff H, Rothammel W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=49&spage=641
Acta Crystallographica C49 (1993) 641-642
Structure of MoAs2O7: corrigendum and addendum
Note: AnisoU's from ICSD
_database_code_amcsd 0010284
16.14 4.550 7.788 90 100.07 90 P2_1/n
atom      x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mo   .09911 .0005 .15991 .0097  .0101  .0053  .0138 -.0001 -.0019  .0006
As1  .05763 .4606 .82515 .0092  .0103  .0047  .0127  .0003  .0004 -.0001
As2  .21193 .5757  .6156 .0118  .0124  .0093  .0137  .0001  .0009  .0014
O1    .1260 .2582  .9669 .0121   .013   .008   .015   .001   .000   .001
O2    .1051  .587  .6647 .0141   .011   .014   .017   .003   .000   .001
O3    .1251  .220  .3338 .0168   .022   .011   .017  -.005  -.003  -.002
O4    .0252 .7602  .9266 .0092   .012   .005   .011   .001   .002  -.002
O5    .9755  .260  .7284 .0127   .013   .011   .014  -.004  -.002  -.001
O6    .1837  .784  .1638 .0183   .013   .017   .025   .000   .000   .007
O7    .2369  .207  .6758 .0180   .025   .009   .020   .005  -.008  -.002
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Dansite
Download hom/dansite.pdf
Burzlaff H, Grube H H
Download zk/vol152/ZK152_83.pdf
Zeitschrift fur Kristallographie 152 (1980) 83-93
Strukturverfeinerung und zwillingsgesetz am Zn-d'ansit
_database_code_amcsd 0010830
15.9132 15.9132 15.9132 90 90 90 I-43d
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1  .37494 .34862 .11774     .00203 .00214 .00175  .00025 -.00029 -.00020
Na2   .5178  .2456  .4568  .5  .0038  .0030 .00138  -.0005 -.00011   .0000
Zn    .3296  .3296  .3296 .25 .00282 .00282 .00282   .0004   .0004   .0004
Na    .3296  .3296  .3296 .75 .00282 .00282 .00282   .0004   .0004   .0004
S1      .25 .26832     .5     .00192 .00100 .00115       0 -.00017       0
S2    .4607  .4607  .4607     .00127 .00127 .00127  .00009  .00009  .00009
O1    .0883  .4744  .4637      .0057  .0042  .0028  -.0021   .0022  -.0009
O2    .2322  .0339  .4261     .00223 .00179 .00223 -.00001 -.00006  .00049
O3    .0177  .3227  .0727      .0030  .0031  .0027 -.00062 -.00004 -.00172
O4    .4079  .4079  .4079      .0081  .0081  .0081  -.0030  -.0030  -.0030
Cl      .25   .375      0     .00160 .00133 .00160       0       0       0
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Talc
Download hom/talc.pdf
Perdikatsis B, Burzlaff H
Download zk/vol156/ZK156_177.pdf
Zeitschrift fur Kristallographie 156 (1981) 177-186
Strukturverfeinerung am talk Mg3[(OH)2Si4O10]
_database_code_amcsd 0010839
5.290 9.173 9.460 90.46 98.68 90.09 C-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .24527 .50259 .29093        .0087  .0074  .0095  .0002  .0014  .0000
Si2  .24590 .83587 .29108        .0086  .0074  .0097  .0003  .0019 -.0003
Mg1       0      0      0        .0076  .0069  .0097  .0001  .0017 -.0001
Mg2  .50012 .83332 .99994        .0078  .0069  .0101  .0000  .0015 -.0004
O1    .1991  .8344  .1176        .0100  .0094  .0106  .0000  .0017 -.0001
O2    .6970  .6674  .1126        .0121  .0102  .0110  .0005  .0017 -.0001
O3    .1980  .5012  .1176        .0103  .0094  .0097  .0000  .0012  .0000
O4    .0199  .9287  .3481        .0104  .0136  .0133  .0044  .0015 -.0010
O5    .5202  .9109  .3494        .0112  .0141  .0124 -.0032  .0022  .0000
O6    .2429  .6699  .3484        .0162  .0085  .0120  .0002  .0024  .0002
H      .719   .669   .203 .0076
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Smithite
Download hom/smithite.pdf
Hellner E, Burzlaff H
 
Naturwissenschaften 51 (1964) 35-36
Die struktur des smithits AgAsS2
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0014690
17.23 7.78 15.19 90 101.20 90 A2/a
atom     x     y     z Biso
Ag1  .0908 .1195 .3561 3.12
Ag2  .4189 .6201 .4325 3.88
Ag3  .2500 .3877 .5000 3.38
Ag4  .2500 .8740 .5000 3.10
As1  .2661 .3636 .2530 1.02
As2  .4216 .1231 .1728 1.04
As3  .4143 .1243 .4079 1.06
S1   .1013 .9115 .4985  1.5
S2   .0863 .4141 .4299  1.4
S3   .2208 .6736 .1267  1.3
S4   .2860 .1645 .1427  1.3
S5   .3875 .4684 .2833  1.6
S6   .0725 .4450 .2072  1.3
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Heidornite
Download hom/heidornite.pdf
Burzlaff H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1967 (1967) 157-169
Die struktur des heidornit Ca3Na2Cl(SO4)2B5O8(OH)2
_database_code_amcsd 0014732
10.21 7.84 18.79 90 93.5 90 C2/c
atom     x     y      z  Biso
Ca1      0 .3933    .25   .31
Ca2  .4100 .2425 .40308   .47
Na   .1564 .2781  .0770  1.55
Cl       0     0      0  1.02
S    .1371 .4779 .42205   .47
O11  .0129 .4537  .3757  1.32
O12  .1407 .3531  .4795  1.59
O13  .2503 .4555  .3780  1.55
O14  .1350 .6534  .4502  1.30
B1   .3348 .4866  .1829    .6
B2   .2620 .2314  .2504    .5
B3      .5 .3054    .25   .89
O21  .1552 .1419  .2717   .85
O22  .2278 .3716  .2098   .67
O23  .4616 .4004  .1845   .72
O24  .3899 .1893  .2706   .77
O25  .2799 .5355  .1116   .77
H    .1934 .0167  .4465   .72
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Total number of retrieved datasets: 5
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