American Mineralogist Crystal Structure Database

2 matching records for this search.

Alunogen
Download hom/alunogen.pdf
Fang J H, Robinson P D
Download am/vol61/AM61_311.pdf
American Mineralogist 61 (1976) 311-317
Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content
_database_code_amcsd 0000518
7.420 26.970 6.062 89.67 97.34 91.53 P-1
atom      x     y     z Biso
S1    .2327 .9390 .4813 1.46
S2    .2424 .5607 .4859 1.23
S3    .6334 .7470 .4740 2.54
Al1   .2803 .0986 .0012 1.27
Al2   .7367 .5995 .0029 1.19
O1    .3740 .9043 .4480 2.80
O2    .6970 .0258 .3400 2.30
O3    .9280 .0886 .4570 2.30
O4    .1750 .9656 .2710 2.50
O5    .6930 .4738 .3360 2.30
O6    .3910 .5955 .4470 2.10
O7    .9080 .4114 .4460 2.00
O8    .1740 .5336 .2790 2.20
O9    .2320 .2814 .3870 4.80
O10   .6040 .7268 .2490 3.70
O11   .7030 .7981 .4660 4.20
O12   .5430 .2528 .4370 6.60
Wat1  .8120 .8415 .1130 2.30
Wat2  .3340 .1254 .2890 1.90
Wat3  .3740 .0379 .1120 1.80
Wat4  .7710 .9304 .2850 1.60
Wat5  .4820 .8829 .0530 1.90
Wat6  .0460 .0774 .0620 2.00
Wat7  .8280 .6603 .1280 2.00
Wat8  .3030 .3725 .2820 1.70
Wat9  .0270 .4179 .0470 2.00
Wat10 .7770 .5696 .2870 1.50
Wat11 .4970 .6145 .0520 1.70
Wat12 .3610 .4622 .1210 1.50
Watz1 .7090 .3249 .2010 4.40
Watz2 .6110 .2101 .0430 5.90
Watz3 .0020 .2164 .1010 7.10
Watz4 .1520 .6965 .2290 7.60
Watz5 .1480 .7970 .4340 6.20
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Alunogen
Download hom/alunogen.pdf
Menchetti S, Sabelli C
 
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 164-178
Alunogen. Its structure and twinning
Locality: grotta dell'allume, Vulcano Island, Italy
_database_code_amcsd 0015647
7.425 26.9750 6.0608 90.03 97.66 91.94 P-1
atom       x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1    .2365 .09959 .0033           .0042  .0003  .0053  .0001  .0012  .0006
Al2    .2195 .40121 .9987           .0049  .0004  .0064 .00001  .0014  .0007
S1     .7422 .06071 .4866           .0047  .0004  .0066  .0001  .0007  .0005
S2     .7318 .43938 .4809           .0051  .0005  .0098  .0001  .0013  .0005
S3     .1303 .24739 .4731           .0223  .0004  .0134  .0007  .0074  .0008
O1     .6726  .0337 .2781           .0089  .0012  .0132  .0015 -.0030 -.0006
O2     .8059  .0257 .6623           .0133  .0006  .0161 -.0006 -.0054  .0020
O3     .5925  .0886 .5552           .0083  .0009  .0064  .0006  .0023 -.0003
O4     .8928  .0952 .4512           .0030  .0010  .0167 -.0007  .0014  .0010
O5     .6752  .4664 .2740           .0117  .0010  .0122 -.0009 -.0023  .0022
O6     .8029  .4744 .6573           .0121  .0008  .0225  .0007 -.0045 -.0005
O7     .5715  .4113 .5438           .0064  .0012  .0103 -.0004  .0016  .0018
O8     .8728  .4047 .4455           .0075  .0013  .0181  .0016  .0030 -.0012
O9     .2626  .2177 .6116           .0350  .0008  .0428 -.0001 -.0053  .0037
O10    .1042  .2268 .2475           .0231  .0013  .0264  .0010 -.0003 -.0012
O11   -.0438  .2464 .5573           .0326  .0020  .0467  .0018  .0239  .0014
O12    .2023  .2983 .4664           .0488  .0004  .0269  .0006  .0160  .0007
O13    .1400  .0380 .8830           .0075  .0005  .0099 -.0001 -.0021  .0002
O14    .2768  .0690 .2845           .0080  .0005  .0103  .0000  .0005  .0005
O15    .4730  .0819 .9545           .0071  .0008  .0149  .0003  .0026  .0010
O16    .3265  .1606 .1258           .0094  .0006  .0205 -.0003  .0011 -.0005
O17    .1967  .1276 .7168           .0079  .0006  .0105  .0002  .0009  .0006
O18   -.0010  .1149 .0522           .0061  .0008  .0124  .0005  .0035  .0007
O19    .4521  .4225 .9364           .0077  .0012  .0108  .0001  .0028  .0002
O20    .2687  .4304 .2832           .0090  .0007  .0116  .0003  .0016  .0009
O21    .1266  .4632 .8868           .0066  .0005  .0130  .0001  .0004  .0006
O22   -.0183  .3829 .0549           .0080  .0007  .0125  .0005  .0013 -.0001
O23    .1665  .3753 .7124           .0094  .0008  .0104  .0005  .0013 -.0001
O24    .3100  .3419 .1112           .0114  .0006  .0197  .0007  .0041  .0016
O25    .7916  .1748 .8023           .0188  .0012  .0392  .0100  .0001  .0019
O26    .8842  .2906 .9493           .0304  .0014  .0676 -.0008  .0099 -.0020
O27    .6497  .1967 .2262           .0192  .0031  .0898 -.0019 -.0047 -.0011
O28    .4949  .2834 .9045           .0213  .0028  .0563  .0022  .0044 -.0053
Wat29   .644   .296  .444  .4 9.68
H1      .180   .007  .850
H2      .010   .033  .800
H3      .250   .029  .290
H4      .370   .083  .350
H5      .520   .090  .840
H6      .550   .064  .080
H7      .260   .187  .160
H8      .450   .166  .180
H9      .230   .165  .690
H10     .080   .116  .620
H11    -.040   .108  .200
H12    -.080   .138  .960
H13     .500   .413  .790
H14     .520   .444  .050
H15     .280   .469  .290
H16     .340   .429  .400
H17     .180   .495  .840
H18     .020   .477  .860
H19    -.060   .391  .200
H20    -.060   .347  .010
H21     .050   .381  .650
H22     .180   .345  .660
H23     .270   .326  .250
H24     .400   .325  .020
H25     .680   .159  .680
H26     .850   .203  .760
H27     .910   .275  .810
H28     .960   .268  .060
H29     .720   .220  .310
H30     .710   .190  .110
H31     .440   .259  .820
H32     .630   .287  .920
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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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