Melanophlogite
Nakagawa T, Kihara K, Harada K
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
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Melanophlogite
Tribaudino M, Artoni A, Mavris C, Bersani D, Lottici P P, Belletti D
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 (permalink )
Melanophlogite
Gies H
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 (permalink )
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 