|
Howieite |
 |
Wenk H R |
 |
American Mineralogist 59 (1974) 86-97 |
|
Howieite, a new type of chain silicate |
|
_database_code_amcsd 0000396 |
|
10.170 9.774 9.589 91.22 70.76 108.09 P-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si11 -.27392 .08663 .01664 .96 .00117 .00183 .00128 .00055 -.00023 .00009 |
|
Ti11 -.27392 .08663 .01664 .04 .00117 .00183 .00128 .00055 -.00023 .00009 |
|
Si12 -.27312 .07690 .32831 .00131 .00219 .00126 .00045 -.00044 -.00040 |
|
Si21 .00065 .22071 .41972 .00134 .00185 .00127 .00083 -.00036 -.00015 |
|
Si22 -.00205 .21802 -.26243 .00136 .00192 .00110 .00072 -.00046 -.00019 |
|
Si31 .27037 .33955 -.16660 .00095 .00222 .00141 .00075 -.00039 -.00025 |
|
Si32 .27346 .34722 .14394 .00136 .00251 .00122 .00122 -.00022 -.00019 |
|
Fe11 -.45599 .29345 .23699 .00155 .00302 .00191 .00087 -.00072 -.00005 |
|
Fe12 -.46434 .26095 -.42833 .00101 .00175 .00129 .00048 -.00026 -.00011 |
|
Fe13 -.46138 .27582 -.09654 .00160 .00307 .00155 .00106 -.00038 -.00018 |
|
Fe21 -.15485 .42838 .30607 .00121 .00233 .00138 .00050 -.00022 .00003 |
|
Mn22 -.15716 .42405 -.36488 .695 .00127 .00252 .00154 .00068 -.00032 -.00026 |
|
Mg22 -.15716 .42405 -.36488 .225 .00127 .00252 .00154 .00068 -.00032 -.00026 |
|
Al22 -.15716 .42405 -.36488 .080 .00127 .00252 .00154 .00068 -.00032 -.00026 |
|
Mn23 -.14897 .43047 -.03362 .795 .00087 .00193 .00132 .00038 -.00035 -.00006 |
|
Al23 -.14897 .43047 -.03362 .230 .00087 .00193 .00132 .00038 -.00035 -.00006 |
|
Na 0 0 0 .00749 .01429 .00756 .00859 .00039 .00306 |
|
O11 .4140 .0524 -.0256 .0018 .0034 .0050 .0004 -.0013 -.0001 |
|
O12 .3627 .0755 .3153 .0065 .0041 .0067 .0012 -.0022 .0005 |
|
O13 .3960 .0723 -.4100 .0022 .0017 .0029 .0000 .0002 .0000 |
|
O21 -.3179 .2321 .0248 .0023 .0018 .0026 .0007 -.0007 .0007 |
|
O22 -.3285 .2176 .3597 .0019 .0018 .0026 .0008 -.0002 .0003 |
|
O23 -.3408 .2244 -.3133 .0018 .0030 .0027 .0010 -.0006 -.0001 |
|
O31 -.0361 .3832 .0989 .0013 .0027 .0026 .0007 -.0005 .0002 |
|
O32 -.0277 .3742 .4293 .0019 .0025 .0025 .0011 -.0009 -.0004 |
|
O33 -.0300 .3714 -.2481 .0019 .0021 .0018 .0010 -.0004 .0000 |
|
O41 .2651 -.4892 .1604 .0023 .0029 .0018 .0017 -.0007 -.0001 |
|
O42 .2857 -.4587 .4857 .0022 .0038 .0026 .0014 -.0009 -.0002 |
|
O43 .2676 -.4960 -.1790 .0024 .0028 .0026 .0014 -.0003 -.0005 |
|
O51 -.4313 -.3249 .2404 .0013 .0035 .0028 .0010 -.0006 -.0005 |
|
O52 -.4484 -.3462 -.4530 .0058 .0057 .0031 .0036 -.0025 -.0010 |
|
O53 -.4364 -.3414 -.1071 .0014 .0034 .0026 .0011 -.0001 .0004 |
|
O61 -.1288 .0996 .3781 .0025 .0030 .0040 .0010 -.0024 -.0005 |
|
O62 -.1342 .0952 -.1351 .0019 .0032 .0021 .0008 .0000 .0002 |
|
O71 .1601 .2391 .2938 .0025 .0035 .0020 .0015 -.0005 -.0001 |
|
O72 .1506 .2300 -.2338 .0024 .0033 .0033 .0013 -.0016 -.0014 |
|
O8 -.2084 .0703 .1478 .0018 .0038 .0020 .0014 -.0009 -.0006 |
|
O9 .0047 .1631 -.4239 .0029 .0031 .0010 .0016 -.0005 -.0002 |
|
O10 .2094 .2782 .0107 .0024 .0037 .0015 .0015 -.0003 -.0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Surtsey x-ray |
|
feldspar |
|
_database_code_amcsd 0000757 |
|
8.1736 12.8736 7.1022 93.462 116.054 90.475 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2665 .9862 .1649 .325 .0047 .0095 .0156 -.0023 0.0048 -.0074 |
|
Na1 .2665 .9862 .1649 .160 .0047 .0095 .0156 -.0023 0.0048 -.0074 |
|
Ca2 .2723 .0306 .0952 .325 .0034 .00276 .0087 0.00127 0.0011 -.00157 |
|
Na2 .2723 .0306 .0952 .160 .0034 .00276 .0087 0.00127 0.0011 -.00157 |
|
Si1 .00632 .16304 .21518 .595 .0033 .0012 .0042 -.00043 0.00153 0.00022 |
|
Al1 .00632 .16304 .21518 .405 .0033 .0012 .0042 -.00043 0.00153 0.00022 |
|
Si2 .00264 .81626 .23099 .595 .00342 .00126 .00389 0.00090 0.00145 0.00020 |
|
Al2 .00264 .81626 .23099 .405 .00342 .00126 .00389 0.00090 0.00145 0.00020 |
|
Si3 .68589 .10882 .31775 .595 .0030 .00091 .0062 0.00024 0.00144 0.00013 |
|
Al3 .68589 .10882 .31775 .405 .0030 .00091 .0062 0.00024 0.00144 0.00013 |
|
Si4 .68100 .87870 .35715 .595 .0025 .0007 .0049 0.00017 0.00128 0.00043 |
|
Al4 .68100 .87870 .35715 .405 .0025 .0007 .0049 0.00017 0.00128 0.00043 |
|
Oa1 .0042 .1290 .9811 .0114 .00287 .0080 0.00101 0.0058 0.00086 |
|
Oa2 .5798 .9914 .2789 .0043 .00146 .0099 0.00017 0.0026 0.00079 |
|
Obo .8131 .1037 .1886 .0082 .00192 .0147 -.00041 0.0067 -.00031 |
|
Obm .8156 .8532 .2435 .0082 .00269 .0212 0.00081 0.0079 -.00070 |
|
Oco .0139 .2895 .2818 .0072 .00242 .0122 -.00056 0.0045 0.00048 |
|
Ocm .0125 .6869 .2133 .0074 .00244 .0097 0.00181 0.0021 -.00020 |
|
Odo .1979 .1073 .3822 .0070 .00226 .0086 0.00060 0.0015 0.00050 |
|
Odm .1900 .8661 .4292 .0075 .00263 .0118 0.00085 -.0001 -.00062 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Surtsey neutron |
|
feldspar |
|
_database_code_amcsd 0000758 |
|
8.1736 12.8736 7.1022 93.462 116.054 90.475 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2666 .9870 .1620 .325 0.0061 0.0099 0.0180 -.0024 0.0058 -.0073 |
|
Na1 .2666 .9870 .1620 .160 0.0061 0.0099 0.0180 -.0024 0.0058 -.0073 |
|
Ca2 .2733 .0309 .0950 .325 0.0021 0.0031 0.0102 0.0018 0.0012 -.0004 |
|
Na2 .2733 .0309 .0950 .160 0.0021 0.0031 0.0102 0.0018 0.0012 -.0004 |
|
Si1 .0062 .1632 .2153 .595 0.0037 0.0018 0.0077 0.0000 0.0025 0.0004 |
|
Al1 .0062 .1632 .2153 .405 0.0037 0.0018 0.0077 0.0000 0.0025 0.0004 |
|
Si2 .0026 .8163 .2306 .595 0.0042 0.0020 0.0075 0.0012 0.0032 0.0003 |
|
Al2 .0026 .8163 .2306 .405 0.0042 0.0020 0.0075 0.0012 0.0032 0.0003 |
|
Si3 .6848 .1088 .3177 .595 0.0034 0.0015 0.0089 0.0005 0.0029 0.0002 |
|
Al3 .6848 .1088 .3177 .405 0.0034 0.0015 0.0089 0.0005 0.0029 0.0002 |
|
Si4 .6806 .8790 .3571 .595 0.0032 0.0013 0.0095 0.0003 0.0034 0.0006 |
|
Al4 .6806 .8790 .3517 .405 0.0032 0.0013 0.0095 0.0003 0.0034 0.0006 |
|
Oa1 .0039 .1290 .9808 0.0108 0.0034 0.0114 0.0010 0.0071 0.0011 |
|
Oa2 .5799 .9912 .2786 0.0047 0.0019 0.0125 0.0004 0.0035 0.0009 |
|
Obo .8130 .1036 .1892 0.0080 0.0026 0.0172 -.0003 0.0076 -.0001 |
|
Obm .8158 .8530 .2444 0.0080 0.0034 0.0236 0.0011 0.0097 -.0004 |
|
Oco .0143 .2895 .2817 0.0069 0.0028 0.0146 -.0006 0.0051 0.0006 |
|
Ocm .0122 .6866 .2130 0.0069 0.0029 0.0116 0.0016 0.0027 -.0003 |
|
Odo .1972 .1074 .3816 0.0069 0.0027 0.0113 0.0006 0.0025 0.0006 |
|
Odm .1902 .8660 .4293 0.0072 0.0032 0.0148 0.0007 0.0013 -.0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Lake County x-ray |
|
feldspar |
|
_database_code_amcsd 0000759 |
|
8.1747 12.8706 7.1014 93.461 116.086 90.514 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2663 .9834 .1687 .317 .00479 .00661 .01010 -.00197 0.00372 -.00447 |
|
Na1 .2663 .9834 .1687 .183 .00479 .00661 .01010 -.00197 0.00372 -.00447 |
|
Ca2 .2709 .0300 .0970 .317 .00434 .00338 .00960 0.00115 0.00085 -.00221 |
|
Na2 .2709 .0300 .0970 .183 .00434 .00338 .00960 0.00115 0.00085 -.00221 |
|
Si1 .00588 .16271 .21481 .587 .00431 .00164 .00498 -.00043 0.00174 0.00035 |
|
Al1 .00588 .16271 .21481 .412 .00431 .00164 .00498 -.00043 0.00174 0.00035 |
|
Si2 .00275 .81645 .23109 .587 .00365 .00139 .00329 0.00071 0.00121 0.00003 |
|
Al2 .00275 .81645 .23109 .412 .00365 .00139 .00329 0.00071 0.00121 0.00003 |
|
Si3 .68425 .10878 .31709 .587 .00331 .00107 .00491 0.00016 0.00120 0.00000 |
|
Al3 .68425 .10878 .31709 .412 .00331 .00107 .00491 0.00016 0.00120 0.00000 |
|
Si4 .68086 .87873 .35765 .587 .00331 .00113 .00508 0.00005 0.00126 0.00049 |
|
Al4 .68086 .87873 .35165 .412 .00331 .00113 .00508 0.00005 0.00126 0.00049 |
|
Oa1 .0027 .1281 .9796 .01119 .00289 .00645 0.00087 0.00551 0.00088 |
|
Oa2 .5787 .9913 .2777 .00495 .00158 .00789 0.00010 0.00184 0.00060 |
|
Obo .8121 .1033 .1879 .00853 .00213 .01321 -.00064 0.00564 -.00047 |
|
Obm .8152 .8540 .2435 .00868 .00294 .02168 0.00054 0.00743 -.00107 |
|
Oco .0141 .2892 .2830 .00681 .00280 .01179 -.00075 0.00370 0.00080 |
|
Ocm .0115 .6866 .2118 .00657 .00269 .00880 0.00117 0.00159 -.00077 |
|
Odo .1976 .1065 .3816 .00729 .00231 .00754 0.00027 0.00058 0.00043 |
|
Odm .1906 .8657 .4307 .00810 .00301 .00998 0.00070 -.00055 -.00079 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Lake County neutron |
|
feldspar |
|
_database_code_amcsd 0000760 |
|
8.1747 12.8706 7.1014 93.461 116.086 90.514 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .269 .975 .176 .325 0.0051 0.0052 0.0187 -.0010 0.0008 -.0034 |
|
Na1 .269 .975 .176 .175 0.0051 0.0052 0.0187 -.0010 0.0008 -.0034 |
|
Ca2 .273 .032 .098 .325 0.0050 0.0033 0.0100 0.0035 -.0031 -.0047 |
|
Na2 .273 .032 .098 .175 0.0050 0.0033 0.0100 0.0035 -.0031 -.0047 |
|
Si1 .0053 .1632 .2152 .587 0.0049 0.0015 0.0068 -.0004 0.0000 0.0003 |
|
Al1 .0053 .1632 .2152 .412 0.0049 0.0015 0.0068 -.0004 0.0000 0.0003 |
|
Si2 .0034 .8163 .2314 .587 0.0048 0.0020 0.0062 0.0006 0.0003 0.0003 |
|
Al2 .0034 .8163 .2314 .412 0.0048 0.0020 0.0062 0.0006 0.0003 0.0003 |
|
Si3 .6831 .1087 .3158 .587 0.0051 0.0189 0.0046 0.0002 0.0002 -.0002 |
|
Al3 .6831 .1087 .3158 .412 0.0051 0.0189 0.0046 0.0002 0.0002 -.0002 |
|
Si4 .6796 .8786 .3584 .587 0.0047 0.0012 0.0059 -.0005 -.0003 -.0001 |
|
Al4 .6796 .8786 .3584 .412 0.0047 0.0012 0.0059 -.0005 -.0003 -.0001 |
|
Oa1 .0029 .1279 .9794 0.0119 0.0029 0.0060 0.0005 0.0039 0.0010 |
|
Oa2 .5794 .9913 .2784 0.0049 0.0019 0.0104 -.0001 0.0017 0.0002 |
|
Obo .8123 .1030 .1882 0.0090 0.0026 0.0145 -.0006 0.0039 -.0012 |
|
Obm .8160 .8537 .2444 0.0086 0.0031 0.0268 0.0006 0.0059 -.0010 |
|
Oco .0145 .2869 .2823 0.0071 0.0028 0.0128 -.0008 0.0020 0.0015 |
|
Ocm .0117 .6868 .2126 0.0086 0.0039 0.0117 0.0017 0.0022 0.0000 |
|
Odo .1974 .1065 .3822 0.0074 0.0024 0.0100 0.0005 -.0013 0.0010 |
|
Odm .1905 .8656 .4299 0.0082 0.0031 0.0110 0.0007 -.0079 -.0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Verzasca x-ray |
|
feldspar |
|
_database_code_amcsd 0000761 |
|
8.151 12.829 7.103 93.62 116.21 89.7 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2679 .9787 .1659 .32 .00540 .00764 .01530 -.00184 0.00490 -.00570 |
|
Na1 .2679 .9787 .1659 .18 .00540 .00764 .01530 -.00184 0.00490 -.00570 |
|
Ca2 .2713 .0285 .1023 .32 .00364 .00293 .01000 0.00117 0.00089 -.00170 |
|
Na2 .2713 .0285 .1023 .18 .00364 .00293 .01000 0.00117 0.00089 -.00170 |
|
Si1 .00665 .16503 .21328 .592 .00342 .00177 .00440 -.00048 0.00140 0.00046 |
|
Al1 .00665 .16503 .21328 .407 .00342 .00177 .00440 -.00048 0.00140 0.00046 |
|
Si2 .00338 .81758 .23205 .592 .00335 .00172 .00347 0.00121 0.00119 0.00022 |
|
Al2 .00338 .81758 .23205 .407 .00335 .00172 .00347 0.00121 0.00119 0.00022 |
|
Si3 .68674 .10935 .31711 .592 .00226 .00082 .00400 0.00033 0.00082 0.00008 |
|
Al3 .68674 .10935 .31711 .407 .00226 .00082 .00400 0.00033 0.00082 0.00008 |
|
Si4 .68204 .87952 .35720 .592 .00263 .00108 .00460 0.00019 0.00141 0.00051 |
|
Al4 .68204 .87952 .35720 .407 .00263 .00108 .00460 0.00019 0.00141 0.00051 |
|
Oa1 .0033 .1303 .9779 .01000 .00364 .00850 0.00068 0.00550 0.00132 |
|
Oa2 .5833 .9932 .2788 .00500 .00187 .00790 -.00003 0.00170 0.00079 |
|
Obo .8127 .1068 .1902 .00750 .00233 .01200 -.00047 0.00580 -.00008 |
|
Obm .8170 .8527 .2466 .00840 .00309 .01910 0.00070 0.00810 -.00031 |
|
Oco .0145 .2931 .2778 .00670 .00306 .01080 -.00088 0.00320 0.00073 |
|
Ocm .0163 .6890 .2174 .00750 .00325 .00930 0.00238 0.00140 -.00085 |
|
Odo .1990 .1082 .3850 .00710 .00265 .00710 -.00004 0.00090 0.00044 |
|
Odm .1889 .8671 .4314 .00750 .00290 .00860 0.00044 0.00080 -.00045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Labradorite |
|
Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K |
|
American Mineralogist 65 (1980) 81-95 |
|
The average structure of An 62-66 labradorite |
|
Sissone x-ray |
|
feldspar |
|
_database_code_amcsd 0000762 |
|
8.152 12.834 7.079 93.49 116.13 90.4 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2665 .9835 .1692 .34 0.0043 .00790 0.0113 -.00240 0.00450 -.00620 |
|
Na1 .2665 .9835 .1692 .15 0.0043 .00790 0.0113 -.00240 0.00450 -.00620 |
|
Ca2 .2701 .0304 .0956 .34 0.0035 .00267 0.0070 0.00104 0.00130 -.00110 |
|
Na2 .2701 .0304 .0956 .15 0.0035 .00267 0.0070 0.00104 0.00130 -.00110 |
|
Si1 .00546 .16279 .21484 .585 0.0052 .00249 0.0040 -.00039 0.00190 0.00065 |
|
Al1 .00546 .16279 .21484 .415 0.0052 .00249 0.0040 -.00039 0.00190 0.00065 |
|
Si2 .00267 .81695 .23107 .585 0.0052 .00236 0.0035 0.00126 0.00184 0.00032 |
|
Al2 .00267 .81695 .23107 .415 0.0052 .00236 0.0035 0.00126 0.00184 0.00032 |
|
Si3 .68370 .10883 .31609 .585 0.0024 .00123 0.0024 0.00055 0.00070 -.00010 |
|
Al3 .68370 .10883 .31609 .415 0.0024 .00123 0.0024 0.00055 0.00070 -.00010 |
|
Si4 .68035 .87876 .35693 .585 0.0039 .00191 0.0046 0.00034 0.00136 0.00095 |
|
Al4 .68035 .87876 .35693 .415 0.0039 .00191 0.0046 0.00034 0.00136 0.00195 |
|
Oa1 .0012 .1274 .9783 0.0131 .00408 0.0050 0.00070 0.00560 0.00050 |
|
Oa2 .5777 .9918 .2765 0.0068 .00275 0.0063 0.00020 0.00250 0.00060 |
|
Obo .8100 .1031 .1851 0.0089 .00360 0.0143 -.00070 0.00580 -.00020 |
|
Obm .8140 .8539 .2410 0.0087 .00390 0.0234 0.00080 0.00650 -.00100 |
|
Oco .0141 .2893 .2821 0.0076 .00450 0.0102 -.00040 0.00340 0.00160 |
|
Ocm .0110 .6864 .2108 0.0084 .00403 0.0070 0.00190 0.00040 -.00140 |
|
Odo .1967 .1064 .3798 0.0089 .00328 0.0060 0.00000 0.00040 0.00010 |
|
Odm .1903 .8662 .4315 0.0095 .00410 0.0090 0.00150 -.00040 -.00070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 1542 mono |
|
_database_code_amcsd 0000763 |
|
17.044 9.716 9.334 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33742 0 .25 .900 .00041 .00121 .00193 0 0 -.00001 |
|
Fe1 .33742 0 .25 .068 .00041 .00121 .00193 0 0 -.00001 |
|
Al1 .25 .25 .25006 .962 .00044 .00096 .00104 0.00023 0 0 |
|
Si2 0 .5 .25 .876 .00028 .00115 .00076 0 0 0 |
|
Al2 0 .5 .25 .097 .00028 .00115 .00076 0 0 0 |
|
Si3 .19252 .07803 0 .963 .00031 .00069 .00102 0.00004 0 0 |
|
Si4 .13516 -.23731 0 .970 .00025 .00090 .00099 -.00005 0 0 |
|
Al5 .05083 .30791 0 .911 .00028 .00085 .00110 0.00008 0 0 |
|
Si5 .05083 .30791 0 .048 .00028 .00085 .00110 0.00008 0 0 |
|
O1 .24722 -.10301 .35881 .00078 .00155 .00176 -.00016 0.00032 -.00025 |
|
O2 .06220 -.41620 .34910 .00054 .00232 .00184 -.00014 0.00004 -.00057 |
|
O3 -.17326 -.31006 .35854 .00067 .00203 .00179 0.00023 -.00024 -.00026 |
|
O4 .04321 -.24815 0 .00051 .00299 .00371 -.00011 0 0 |
|
O5 .12231 .18464 0 .00074 .00239 .00361 0.00047 0 0 |
|
O6 .16468 -.07957 0 .00091 .00151 .00415 -.00027 0 0 |
|
OH1 0 0 .25 .740 .051 .026 0.011 0 0 0 |
|
OH2 0 0 0 .120 .001 -.001 0.510 0.002 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
|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 1542 filter |
|
_database_code_amcsd 0000764 |
|
17.044 9.716 9.334 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33739 0 .25 .886 .00037 .00120 .00175 0 0 -.00005 |
|
Fe1 .33739 0 .25 .068 .00037 .00120 .00175 0 0 -.00005 |
|
Al1 .25008 .25 .25010 .954 .00042 .00093 .00100 0.00016 0 0 |
|
Si2 0 .5 .25 .864 .00031 .00098 .00079 0 0 0 |
|
Al2 0 .5 .25 .096 .00031 .00098 .00079 0 0 0 |
|
Si3 .19252 .07796 0 .960 .00031 .00076 .00093 0.00001 0 0 |
|
Si4 .13517 -.23732 0 .958 .00033 .00083 .00098 -.00007 0 0 |
|
Al5 .05077 .30786 0 .913 .00033 .00099 .00106 0.00006 0 0 |
|
Si5 .05077 .30786 0 .048 .00033 .00099 .00106 0.00006 0 0 |
|
O1 .24723 -.10292 .35868 .00088 .00154 .00172 -.00011 0.00030 -.00026 |
|
O2 .06229 -.41627 .34908 .00059 .00221 .00185 -.00010 0.00011 -.00057 |
|
O3 -.17321 -.31005 .35851 .00076 .00193 .00185 0.00012 -.00030 -.00047 |
|
O4 .04305 -.24824 0 .00053 .00334 .00339 -.00015 0 0 |
|
O5 .12213 .18479 0 .00069 .00237 .00378 0.00063 0 0 |
|
O6 .16474 -.07956 0 .00102 .00127 .00387 -.00026 0 0 |
|
OH1 0 0 .25 .770 0.050 0.028 0.012 0 0 0 |
|
OH2 0 0 0 .080 -.001 -.004 0.320 0.00230 0 0 |
|
|
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|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
Brg 50 |
|
_database_code_amcsd 0000765 |
|
17.089 9.737 9.344 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33734 0 .25 .883 .00025 .00112 .00160 0 0 -.00007 |
|
Fe1 .33734 0 .25 .090 .00025 .00112 .00160 0 0 -.00007 |
|
Al1 .25011 .25 .25010 .960 .00033 .00102 .00110 0.00017 0 0 |
|
Si2 0 .5 .25 .871 .00028 .00113 .00084 0 0 0 |
|
Al2 0 .5 .25 .097 .00028 .00113 .00084 0 0 0 |
|
Si3 .19236 .078030 0 .963 .00029 .00073 .00098 0 0 0 |
|
Si4 .13526 -.23704 0 .965 .00021 .00089 .00102 -.00006 0 0 |
|
Al5 .05077 .307950 0 .903 .00019 .00096 .00099 0.00008 0 0 |
|
Si5 .05077 .307950 0 .048 .00019 .00096 .00099 0.00008 0 0 |
|
O1 .24695 -.10317 .35876 .00082 .00171 .00169 -.00007 0.00025 -.00019 |
|
O2 .06199 -.41601 .34877 .00058 .00227 .00193 -.00010 0.00001 -.00067 |
|
O3 -.17335 -.30949 .35847 .00062 .00214 .00185 0.00022 -.00018 -.00043 |
|
O4 .04332 -.24787 0 .00058 .00338 .00388 -.00010 0 0 |
|
O5 .12217 .184140 0 .00090 .00230 .00374 0.00045 0 0 |
|
O6 .16438 -.07957 0 .00099 .00143 .00378 -.00031 0 0 |
|
OH1 0 0 .25 .600 .032 .024 .017 0 0 0 |
|
OH2 0 0 0 .110 .002 .006 .010 0.002 0 0 |
|
|
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|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 624 |
|
_database_code_amcsd 0000766 |
|
17.088 9.726 9.335 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33751 0 .25 .816 .00032 .00109 .00174 0 0 0.00008 |
|
Fe1 .33751 0 .25 .130 .00032 .00109 .00174 0 0 0.00008 |
|
Al1 .25 .25 .25006 .964 .00041 .00097 .00111 0.00013 0 0 |
|
Si2 0 .5 .25 .853 .00020 .00091 .00075 0 0 0 |
|
Al2 0 .5 .25 .095 .00020 .00091 .00075 0 0 0 |
|
Si3 .19234 .077810 0 .970 .00030 .00072 .00101 0.00008 0 0 |
|
Si4 .13511 -.23714 0 .971 .00025 .00090 .00104 -.00009 0 0 |
|
Al5 .05059 .307700 0 .928 .00029 .00109 .00115 0.00006 0 0 |
|
Si5 .05059 .307700 0 .049 .00029 .00109 .00115 0.00006 0 0 |
|
O1 .24695 -.10288 .35874 .00074 .00167 .00159 -.00018 .00045 -.00027 |
|
O2 .06208 -.41554 .34870 .00049 .00215 .00179 -.00013 -.00003 -.00088 |
|
O3 -.17323 -.30982 .35824 .00059 .00200 .00185 0.00015 -.00023 -.00053 |
|
O4 .04334 -.24887 0 .00035 .00332 .00351 -.00027 0 0 |
|
O5 .12219 .184810 0 .00065 .00219 .00383 0.00058 0 0 |
|
O6 .16431 -.07930 0 .00089 .00118 .00388 -.00037 0 0 |
|
OH1 0 0 .25 .960 .220 .018 .075 0 0 0 |
|
OH2 0 0 0 .260 .015 .022 .057 0.001 0 0 |
|
|
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View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 1018 |
|
_database_code_amcsd 0000767 |
|
17.114 9.761 9.333 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33734 0 .25 .626 .00037 .00125 .00187 0 0 -.00001 |
|
Fe1 .33734 0 .25 .626 .00037 .00125 .00187 0 0 -.00001 |
|
Al1 .25 .25 .25011 .970 .00048 .00124 .00110 0.00016 0 0 |
|
Si2 0 .5 .25 .884 .00030 .00142 .00094 0 0 0 |
|
Al2 0 .5 .25 .098 .00030 .00142 .00094 0 0 0 |
|
Si3 .19170 .078390 0 .966 .00030 .00085 .00104 0.00003 0 0 |
|
Si4 .13508 -.23636 0 .960 .00028 .00093 .00096 -.00008 0 0 |
|
Al4 .05046 .307770 0 .899 .00024 .00099 .00097 0.00006 0 0 |
|
Si5 .05046 .307770 0 .047 .00024 .00099 .00097 0.00006 0 0 |
|
O1 .24623 -.10370 .35868 .00083 .00171 .00176 -.00008 0.00037 -.00019 |
|
O2 .06172 -.41580 .34874 .00059 .00239 .00184 -.00012 0.00006 -.00075 |
|
O3 -.17323 -.30846 .35841 .00067 .00221 .00171 0.00013 -.00025 -.00046 |
|
O4 .04332 -.24703 0 .00044 .00365 .00384 -.00018 0 0 |
|
O5 .12135 .183910 0 .00087 .00263 .00375 0.00077 0 0 |
|
O6 .16390 -.07889 0 .00102 .00136 .00398 -.00043 0 0 |
|
OH1 0 0 .25 .42 .0059 .0160 .0082 0 0 0 |
|
OH2 0 0 0 .16 .0001 .0026 .0110 -.0005 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 1104 |
|
_database_code_amcsd 0000768 |
|
17.098 9.741 9.319 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33735 0 .25 .581 .00028 .00118 .00174 0 0 0.00002 |
|
Fe1 .33735 0 .25 .366 .00028 .00118 .00174 0 0 0.00002 |
|
Al1 .25 .25 .25002 .969 .00043 .00128 .00110 0.00014 0 0 |
|
Si2 0 .5 .25 .881 .00035 .00128 .00097 0 0 0 |
|
Al2 0 .5 .25 .098 .00035 .00128 .00097 0 0 0 |
|
Si3 .19150 .078530 0 .967 .00031 .00090 .00096 0.00003 0 0 |
|
Si4 .13506 -.23592 0 .962 .00027 .00096 .00089 -.00011 0 0 |
|
Al5 .05024 .307510 0 .906 .00024 .00133 .00096 0.00009 0 0 |
|
Si5 .05024 .307510 0 .048 .00024 .00133 .00096 0.00009 0 0 |
|
O1 .24584 -.10367 .35849 .00083 .00175 .00187 0.00000 0.00038 -.00012 |
|
O2 .06148 -.41534 .34882 .00063 .00246 .00170 -.00017 0.00003 -.00067 |
|
O3 -.17319 -.30796 .35827 .00059 .00224 .00190 0.00019 -.00024 -.00047 |
|
O4 .04344 -.24735 0 .00052 .00358 .00415 -.00012 0 0 |
|
O5 .12149 .18412 0 .00088 .00261 .00366 0.00064 0 0 |
|
O6 .16373 -.07855 0 .00096 .00198 .00355 -.00034 0 0 |
|
OH1 0 0 .25 .65 .0280 .024 .017 0 0 0 |
|
OH2 0 0 0 .12 .0003 .003 .004 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Wallace J H, Wenk H R |
|
American Mineralogist 65 (1980) 96-111 |
|
Structure variation in low cordierites |
|
sci 552 |
|
_database_code_amcsd 0000769 |
|
17.140 9.769 9.321 90 90 90 Cccm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .33733 0 .25 .588 .00028 .00127 .00211 0 0 -.00003 |
|
Fe1 .33733 0 .25 .386 .00028 .00127 .00211 0 0 -.00003 |
|
Al1 .25 .25 .25006 .978 .00044 .00142 .00143 0.00013 0 0 |
|
Si2 0 .5 .25 .880 .00026 .00126 .00109 0 0 0 |
|
Al2 0 .5 .25 .098 .00026 .00126 .00109 0 0 0 |
|
Si3 .19135 .078440 0 .983 .00029 .00102 .00140 0.00005 0 0 |
|
Si4 .13502 -.23589 0 .969 .00023 .00122 .00124 -.00009 0 0 |
|
Al5 .05032 .307490 0 .901 .00016 .00117 .00126 0.00007 0 0 |
|
Si5 .05032 .307490 0 .047 .00016 .00117 .00126 0.00007 0 0 |
|
O1 .24563 -.10374 .35836 .00074 .00191 .00206 -.00006 0.00035 -.00005 |
|
O2 .06144 -.41538 .34922 .00054 .00240 .00223 -.00015 0.00013 -.00086 |
|
O3 -.17322 -.30721 .35803 .00059 .00228 .00212 0.00019 -.00017 -.00036 |
|
O4 .04348 -.24780 0 .00036 .00383 .00446 -.00023 0 0 |
|
O5 .12130 .184190 0 .00079 .00259 .00409 0.00056 0 0 |
|
O6 .16362 -.07814 0 .00084 .00175 .00394 -.00017 0 0 |
|
OH1 0 0 .25 .60 .018 .025 .019 0 0 0 |
|
OH2 0 0 0 .12 .002 .001 .009 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Reeder R J, Wenk H R |
|
American Mineralogist 68 (1983) 769-776 |
|
Structure refinements of some thermally disordered dolomites |
|
sample EU |
|
_database_code_amcsd 0000904 |
|
4.8038 4.8038 16.006 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 0 0 .999 .00985 .00985 .00060 .004925 0 0 |
|
Mg1 0 0 0 .001 .00985 .00985 .00060 .004925 0 0 |
|
Ca2 0 0 .5 .002 .00724 .00724 .00056 .00362 0 0 |
|
Mg2 0 0 .5 .998 .00724 .00724 .00056 .00362 0 0 |
|
C 0 0 .24266 .00801 .00801 .00059 .004005 0 0 |
|
O .24762 -.03535 .24406 .00839 .01400 .00107 .00628 -.00034 -.00094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Reeder R J, Wenk H R |
|
American Mineralogist 68 (1983) 769-776 |
|
Structure refinements of some thermally disordered dolomites |
|
sample DO - 1050 |
|
_database_code_amcsd 0000905 |
|
4.805 4.805 16.015 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 0 0 .926 .01620 .01620 .00106 .00810 0 0 |
|
Mg1 0 0 0 .074 .01620 .01620 .00106 .00810 0 0 |
|
Ca2 0 0 .5 .076 .01438 .01438 .00110 .00719 0 0 |
|
Mg2 0 0 .5 .924 .01439 .01439 .00110 .00719 0 0 |
|
C 0 0 .2436 .01439 .01439 .00102 .00719 0 0 |
|
O .2483 -.0309 .24475 .01682 .02182 .00165 .01061 -.00048 -.00035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Reeder R J, Wenk H R |
|
American Mineralogist 68 (1983) 769-776 |
|
Structure refinements of some thermally disordered dolomites |
|
sample DO - 1100 |
|
_database_code_amcsd 0000906 |
|
4.805 4.805 16.022 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 0 0 .877 .01414 .01414 .00101 .00707 0 0 |
|
Mg1 0 0 0 .123 .01414 .01414 .00101 .00707 0 0 |
|
Ca2 0 0 .5 .124 .01176 .01176 .00104 .00588 0 0 |
|
Mg2 0 0 .5 .876 .01175 .01176 .00104 .00588 0 0 |
|
C 0 0 .2442 .01594 .01594 .00092 .00797 0 0 |
|
O .2516 -.0277 .24514 .01731 .02555 .00178 .01305 -.00011 -.00012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phosphovanadylite |
|
Medrano M D, Evans H T, Wenk H R, Piper D Z |
|
American Mineralogist 83 (1998) 889-895 |
|
Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type |
|
structure |
|
_database_code_amcsd 0002028 |
|
15.470 15.470 15.470 90 90 90 I-43m |
|
atom x y z occ Uiso |
|
V .4294 .4294 .0828 .87 .017 |
|
Al .4294 .4294 .0828 .13 .017 |
|
P .25 .5 0 .020 |
|
O1 .435 .307 .050 .026 |
|
O2 .420 .420 .184 .029 |
|
O3 .558 -.558 .066 .017 |
|
O4 .257 .257 -.028 .85 .090 |
|
Ba4 .257 .257 -.028 .13 .090 |
|
O5 .340 .340 .340 .92 .102 |
|
Ba5 .340 .340 .340 .08 .102 |
|
O6 .148 .148 .314 .168 |
|
|
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|
| |
|
Wenkite |
|
Wenk H R |
|
Zeitschrift fur Kristallographie 137 (1973) 113-126 |
|
The structure of wenkite |
|
Locality: Cava Mergozzoni, Candoglia, Norvara, Italy |
|
_database_code_amcsd 0010743 |
|
13.515 13.515 7.465 90 90 120 P-62m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 0 0 .015 .48 1.2 .0021 .0021 .0104 .00105 0 0 |
|
Ba2 .3927 0 .0212 .5 1.05 .0020 .0020 .0149 .0010 0 0 |
|
Ca .2243 -.2753 .488 .41 1.8 .0050 .0033 .0110 .0030 0 0 |
|
Al1 .1378 -.3006 0 .651 .67 |
|
Si1 .1378 -.3006 0 .349 .67 |
|
Al2 1/3 -1/3 .103 .325 .4 |
|
Si2 1/3 -1/3 .103 .175 .4 |
|
Al3 .1333 -.1335 .2820 .651 .75 |
|
Si3 .1333 -.1335 .2820 .349 .75 |
|
O1 0 -.400 0 1.9 |
|
O2 .207 -.376 0 1.4 |
|
O3 .216 0 .208 1.4 |
|
O4 .179 -.215 .182 1.8 |
|
O5 0 -.171 .219 1.5 |
|
OH6 1/3 2/3 .320 .5 1.0 |
|
O7 .150 -.144 .5 1.3 |
|
S1 .4831 0 .5 1.5 |
|
O8 .430 0 .327 .5 6.9 |
|
O9 .493 -.406 .394 .5 5.8 |
|
O10 0 -.408 .5 .5 5.0 |
|
Wat 0 0 .5 .24 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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