American Mineralogist Crystal Structure Database

3 matching records for this search.

Melanophlogite
Download hom/melanophlogite.pdf
Nakagawa T, Kihara K, Harada K
Download am/vol86/AM86_1506.pdf
American Mineralogist 86 (2001) 1506-1512
The crystal structure of low melanophlogite
_database_code_amcsd 0002748
26.818 26.818 13.365 90 90 90 *P4_2/nbc
0 0 .25
atom      x      y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si1  .19275 .00847  .30894 1.16 .00036 .00046 .00161 -.00006  .00008  .00006
Si2  .30728 .00588  .31027 1.12 .00034 .00041 .00166  .00002 -.00003  .00004
Si3  .09507 .05733 -.00311 1.20 .00036 .00042 .00192  .00003 -.00005 -.00003
Si4  .40568 .05722 -.00631 1.20 .00038 .00040 .00192  .00003 -.00002 -.00001
Si5  .25299 .15934  .09941 1.05 .00039 .00036 .00137 -.00001 -.00005 -.00003
Si6  .24701 .15235  .87135 1.07 .00047 .00031 .00135  .00003 -.00004 -.00004
Si7  .16017 .09715  .17183 1.14 .00038 .00043 .00155 -.00005  .00008  .00003
Si8  .15674 .08642  .80804 1.16 .00047 .00036 .00153 -.00002 -.00007 -.00001
Si9  .34199 .09456  .17469 1.07 .00037 .00038 .00146  .00003 -.00005  .00001
Si10 .34046 .08852  .81046 1.13 .00038 .00039 .00163  .00000  .00005 -.00009
Si11 .12470      0     1/2  .95 .00024 .00038 .00150       0       0 -.00002
Si12 .37501      0     1/2 1.07 .00025 .00045 .00169       0       0 -.00005
Si13 .25162 .24838     .25  .95 .00038 .00038 .00090 -.00003 -.00004 -.00004
O1    .0381  .1801   .2594 3.70 .00106 .00131  .0060  .00050  -.0012  -.0001
O2    .0590  .1833   .7485 3.28 .00100 .00132  .0044  .00005   .0009  -.0008
O3    .0702  .1163   .3889 3.14 .00158 .00101  .0027 -.00039  .00048  .00047
O4    .0676  .1362   .5800 2.65 .00106 .00072  .0039  .00015 -.00081 -.00078
O5    .1171  .1997   .3616 3.38 .00124 .00136  .0037 -.00080  .00000 -.00058
O6    .1329  .2031   .6322 3.26 .00126 .00090  .0050 -.00054  .00035  .00056
O7    .3175  .0499   .2331 3.67 .00113 .00138  .0053 -.00032   .0001   .0017
O8    .3197  .0464   .7393 3.58 .00151 .00101  .0049 -.00027  -.0006  -.0011
O9    .3816  .0735   .0976 3.14 .00109 .00132  .0035  .00040  .00080 -.00031
O10   .3667  .0638   .9050 2.94 .00091 .00114  .0041 -.00007 -.00103  .00052
O11   .2995  .1234   .1151 2.78 .00100 .00098  .0037  .00048 -.00064  .00003
O12   .2957  .1220   .8472 4.28 .00143 .00189  .0046  .00109   .0003  -.0006
O13   .1590  .0093   .4056 3.29 .00085 .00172  .0035 -.00017  .00105   .0001
O14   .3407  .0142   .4069 2.60 .00080 .00110  .0033  .00024 -.00093 -.00026
O15   .0469  .0903   .0196 2.81 .00066 .00094  .0054  .00043  .00003  .00019
O16   .4538  .0906  -.0285 2.29 .00072 .00073  .0037 -.00033  .00005 -.00023
O17   .2604  .2094   .1619 2.12 .00102 .00071  .0019 -.00005  .00013 -.00051
O18   .2412  .1970   .7945 2.74 .00172 .00054  .0024 -.00008 -.00028  .00026
O19   .0791      0       0 2.14  .0009 .00036  .0039       0       0  .00004
O20   .4225      0       0 1.92 .00074 .00038  .0036       0       0  .00002
O21   .2499  .1737  -.0170 1.76 .00085 .00068  .0012  .00008 -.00021 -.00009
O22  -.0068  .2501   .1575 2.20 .00105 .00035  .0036 -.00003  .00009  .00003
O23   .1185  .1305   .2241 3.21 .00111 .00140  .0034  .00035  .00067 -.00049
O24   .3687  .1313     .25 3.55 .00127 .00127  .0047 -.00015  -.0010  -.0010
O25   .1208  .3792     .25 4.17 .00155 .00155  .0050 -.00079   .0008   .0008
MgG1      0      0     .25 37.7   .015   .015   .035       0       0       0
MgG2      0    1/2     .25 41.6   .018   .018   .030   .0019       0       0
MgG3  .2503  .1243   .5117 30.7  .0128  .0068   .050  -.0001   .0022  -.0009
CG4   .2506      0       0  6.1  .0024  .0024  .0067       0       0  -.0000
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View JMOL 3-D Structure
 
Melanophlogite
Download hom/melanophlogite.pdf
Tribaudino M, Artoni A, Mavris C, Bersani D, Lottici P P, Belletti D
Download am/vol93/AM93_88.pdf
American Mineralogist 93 (2008) 88-94
Single-crystal X-ray and Raman investigation on melanophlogite from Varano
Marchesi (Parma, Italy)
Locality: Case Montanini, Varano Marchesi, Parma, Italy
_database_code_amcsd 0004493
13.399 13.399 13.399 90 90 90 Pm3n
atom        x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1         0 .31079 .11425     .0339  .0427  .0243  .0348      0      0 -.0066
Si2    .18264 .18264 .18264     .0306  .0306  .0306  .0306 -.0048 -.0048 -.0048
Si3       .25      0     .5     .0209  .0177  .0225  .0225      0      0      0
O1     .09616 .24660 .13592     .0708  .0629  .0828  .0667  .0319 -.0101  .0123
O2          0 .40601 .18121     .0895  .1690  .0387  .0609      0      0 -.0309
O3     .34414      0      0     .0406  .0350  .0352  .0515      0      0      0
O4        .25    .25    .25      .090  .0904  .0904  .0904 -.0370 -.0370 -.0370
CH4-5       0      0      0 .71  .082   .082   .082   .082      0      0      0
CH4-56     .5      0    .25 .91  .303   .368   .368   .174      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Melanophlogite
Download hom/melanophlogite.pdf
Gies H
Download zk/vol164/ZK164_247.pdf
Zeitschrift fur Kristallographie 164 (1983) 247-257
Studies on clathrasils. III. Crystal structure of
melanophlogite, a natural clathrate compound of silica
_database_code_amcsd 0010856
13.436 13.436 13.436 90 90 90 Pm3n
atom     x     y     z occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N56    .25    .5     0 .78         .243  1.010   .243      0      0      0
C56    .25    .5     0 .22         .243  1.010   .243      0      0      0
C5       0     0     0             .174   .174   .174      0      0      0
Si1      0 .3098 .1142     1.711  .0259  .0193  .0198      0      0 -.0020
Si2  .1826 .1826 .1826     1.721  .0218  .0218  .0218 -.0002 -.0002 -.0002
Si3    .25     0    .5     1.429  .0127  .0208  .0208      0      0      0
O1   .0963 .2465 .1360     4.882  .0536  .0673  .0646  .0322 -.0125 0.0107
O2       0 .4056 .1813     4.780  .1022  .0368  .0426      0      0 -.0256
O3   .3423     0     0     2.761  .0383  .0164  .0502      0      0      0
O4     .25   .25   .25     5.811  .0736  .0736  .0736 -.0269 -.0269 -.0269
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 3
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