American Mineralogist Crystal Structure Database

2 matching records for this search.

Quenstedtite
Download hom/quenstedtite.pdf
Thomas J N, Robinson P D, Fang J H
Download am/vol59/AM59_582.pdf
American Mineralogist 59 (1974) 582-586
Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The
crystal structure of quenstedtite
_database_code_amcsd 0000409
6.184 23.60 6.539 94.18 101.73 96.27 P-1
atom      x     y     z Biso
Fe1   .1411 .1146 .3365 3.05
Fe2   .4684 .6182 .2434 3.05
S1    .2633 .2813 .9573  1.4
S2    .1281 .5732 .7901  1.3
S3    .4462 .0771 .7623  1.4
O1     .084 .3136  .972  2.3
O2     .408 .2843  .164  2.6
O3     .186 .2210  .871  2.5
O4     .393 .3072  .810  2.2
O5     .229 .5288  .701  2.7
O6     .059 .6112  .637  2.4
O7     .051 .4498  .119  2.0
O8     .301 .6071  .960  2.9
O9     .334 .0316  .852  2.8
O10    .439 .8790  .072  2.5
O11    .400 .9444  .356  2.5
O12    .274 .1022  .620  2.7
Wat1   .052 .1860  .453  2.4
Wat2   .431 .1533  .292  2.9
Wat3   .010 .1325  .045  2.0
Wat4   .200 .0390  .210  2.3
Wat5   .160 .9277  .653  2.2
Wat6   .283 .4228  .817  2.4
Wat7   .232 .6591  .343  1.8
Wat8   .372 .3699  .449  2.2
Wat9   .333 .5419  .322  2.7
Wat10  .366 .7854  .370  3.9
Wat11  .179 .7506  .794  3.6
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Quenstedtite
Download hom/quenstedtite.pdf
Mereiter K
 
ICSD Communications 2020 (2020) DOI: 10.25505/fiz.icsd.cc25lg8j
Experimental crystal structure determination
Locality: Tierra Amarilla, Chile
_database_code_amcsd 0020888
6.1800 23.583 6.5400 94.140 101.680 96.350 P-1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .14137 .11476 .33701 .01515 .01583  .0178 .01257 .00393 .00322 .00298
Fe2  .53182 .38163 .75681 .01317 .01326 .01402 .01203 .00083 .00270 .00127
S1   .44551 .07694 .76219 .01462  .0169  .0161  .0115  .0038  .0034  .0019
O1    .3290 .03027  .8493  .0301  .0461  .0196  .0279 -.0029  .0199  .0020
O2    .5599 .12114  .9283  .0279  .0230  .0329  .0235 -.0019  .0023 -.0105
O3    .6002 .05529  .6442  .0266  .0330  .0269  .0267  .0113  .0177  .0045
O4    .2738 .10345  .6216  .0321  .0344  .0487  .0167  .0223  .0025  .0085
S2   .26355 .28108 .95800 .01393  .0154  .0134  .0135  .0019  .0040  .0022
O5    .0775 .31377  .9684  .0264  .0230  .0351  .0256  .0147  .0082  .0080
O6    .4058 .28355  .1664  .0244  .0248  .0302  .0166  .0090 -.0018  .0008
O7    .1877 .22156  .8723  .0262  .0414  .0146  .0209 -.0069  .0081  .0020
O8    .3923 .30668  .8078  .0234  .0299  .0175  .0253 -.0011  .0141  .0021
S3   .87177 .42671 .20906 .01386  .0161  .0141  .0116  .0012  .0035  .0021
O9    .7713 .47237  .3026  .0310  .0481  .0216  .0334  .0144  .0250  .0069
O10   .9462 .38796  .3656  .0243  .0241  .0323  .0202  .0100  .0065  .0133
O11   .0548 .44950  .1178  .0266  .0321  .0223  .0285 -.0045  .0185  .0003
O12   .6980 .39214  .0420  .0330  .0289  .0464  .0168 -.0066 -.0036 -.0006
O13   .0101 .13265  .0446  .0210  .0196  .0246  .0174 -.0016  .0010  .0078
H13A  .0641  .1611 -.0017   .025
H13B -.1254  .1286   .001   .025
O14   .0556 .18620  .4552  .0269  .0362  .0271  .0182  .0151  .0025 -.0002
H14A   .082  .1983  .5797   .032
H14B -.0200  .2078  .3882   .032
O15   .2053 .03927  .2111  .0266  .0409  .0244  .0215  .0159  .0149  .0079
H15A  .2579  .0427  .1064   .032
H15B  .2666  .0152  .2780   .032
O16   .4277 .15317  .2895  .0305  .0236  .0396  .0261 -.0067  .0099 -.0079
H16A  .4836  .1502  .1862   .037
H16B  .5118  .1760  .3792   .037
O17  -.1574 .07277  .3479  .0270  .0279  .0258  .0294 -.0060  .0181 -.0034
H17A  -.194 .04009  .2899   .032
H17B -.2290  .0771  .4395   .032
O18   .6674 .45735  .6799  .0251  .0346  .0195  .0207 -.0088  .0123 -.0013
H18A   .680  .4599  .5581   .030
H18B  .7590  .4818  .7558   .030
O19   .3754 .36958  .4514  .0216  .0187  .0284  .0166  .0096 -.0012 -.0023
H19A  .3881  .3419  .3730   .026
H19B  .2474  .3773   .419   .026
O20   .2810 .42308  .8161  .0236  .0305  .0212  .0275  .0111  .0185  .0099
H20A   .262 .45486  .7776   .028
H20B  .2171  .4181  .9130   .028
O21   .7690 .34071  .6584  .0212  .0170  .0292  .0208  .0071  .0073  .0092
H21A  .8708  .3336  .7509   .025
H21B  .8231  .3537  .5642   .025
O22   .6372 .21392  .6317  .0463  .0543  .0340  .0462 -.0029  .0078 -.0038
H22A   .617  .2025  .7427   .056
H22B   .633 .24866  .6384   .056
O23   .8267 .24963  .2152  .0465  .0345  .0530  .0676  .0245  .0252  .0404
H23A  .8961  .2721  .1542   .056
H23B  .7061  .2608  .2182   .056
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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