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Oxy-schorl |
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Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
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Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
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American Mineralogist 95 (2010) 1-10 |
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Metamorphic ultrahigh-pressure tourmaline: structure, |
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chemistry, and correlations to P-T conditions |
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Locality: Saxonian Erzegebirge, Germany |
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_database_code_amcsd 0004995 |
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15.929 15.929 7.183 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2250 .86 .0219 |
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CaX 0 0 .2250 .02 .0219 |
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KX 0 0 .2250 .02 .0219 |
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AlY .12241 .06121 .63418 .543 .00765 |
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FeY .12241 .06121 .63418 .410 .00765 |
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TiY .12241 .06121 .63418 .037 .00765 |
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MgY .12241 .06121 .63418 .010 .00765 |
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ZnY .12241 .06121 .63418 .003 .00765 |
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AlZ .29781 .26128 .60853 .842 .00541 |
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MgZ .29781 .26128 .60853 .158 .00541 |
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SiT .19157 .18968 -.00115 .99 .00525 |
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AlT .19157 .18968 -.00115 .01 .00525 |
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B .10999 .21998 .4526 .0068 |
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O1 0 0 .7708 .81 .0224 |
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OH1 0 0 .7708 .09 .0224 |
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F1 0 0 .7708 .10 .0224 |
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O2 .06101 .12202 .48628 .0130 |
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O3 .26269 .13135 .50873 .0158 |
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H3 .252 .126 .397 .042 |
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O4 .09338 .18676 .07027 .01067 |
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O5 .18558 .09279 .09176 .01051 |
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O6 .19525 .18501 .77532 .00927 |
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O7 .28521 .28528 .07611 .00885 |
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O8 .20931 .27011 .43816 .01020 |
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Dravite |
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Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
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Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
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American Mineralogist 95 (2010) 1-10 |
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Metamorphic ultrahigh-pressure tourmaline: structure, |
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chemistry, and correlations to P-T conditions |
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Locality: Parigi, Dora Maira, Western Alps, Italy |
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_database_code_amcsd 0004996 |
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15.935 15.935 7.201 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2396 .90 .0214 |
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CaX 0 0 .2396 .05 .0214 |
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KX 0 0 .2396 .01 .0214 |
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MgY .12571 .06286 .63044 .593 .0081 |
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AlY .12571 .06286 .63044 .330 .0081 |
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FeY .12571 .06286 .63044 .040 .0081 |
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TiY .12571 .06286 .63044 .010 .0081 |
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AlZ .29806 .26164 .61163 .85 .00622 |
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MgZ .29806 .26164 .61163 .15 .00622 |
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SiT .19191 .19000 -.00089 .00548 |
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B .10979 .21958 .4546 .0069 |
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OH1 0 0 .7720 .72 .0144 |
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F1 0 0 .7720 .28 .0144 |
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O2 .06094 .12188 .4848 .0111 |
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O3 .26529 .13265 .5106 .0127 |
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H3 .259 .130 .400 .049 |
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O4 .09305 .1861 .0694 .0107 |
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O5 .18401 .092 .0909 .0106 |
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O6 .19604 .18586 .77669 .00877 |
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O7 .28501 .28490 .07900 .00867 |
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O8 .20952 .27018 .44103 .00961 |
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View JMOL 3-D Structure
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Dravite |
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Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
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Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
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American Mineralogist 95 (2010) 1-10 |
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Metamorphic ultrahigh-pressure tourmaline: structure, |
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chemistry, and correlations to P-T conditions |
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Locality: Lago di Cignana, Western Alps, Italy |
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_database_code_amcsd 0004997 |
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15.945 15.945 7.210 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2325 .84 .0204 |
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CaX 0 0 .2325 .09 .0204 |
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KX 0 0 .2325 .01 .0204 |
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MgY .12426 .06213 .63250 .547 .00810 |
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AlY .12426 .06213 .63250 .263 .00810 |
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FeY .12426 .06213 .63250 .160 .00810 |
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MnY .12426 .06213 .63250 .020 .00810 |
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TiY .12426 .06213 .63250 .007 .00810 |
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NiY .12426 .06213 .63250 .007 .00810 |
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ZnY .12426 .06213 .63250 .003 .00810 |
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AlZ .29802 .26159 .61070 .833 .00545 |
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MgZ .29802 .26159 .61070 .167 .00545 |
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SiT .19175 .18990 -.00135 .997 .00520 |
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AlT .19175 .18990 -.00135 .003 .00520 |
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B .10987 .21974 .4536 .0065 |
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OH1 0 0 .7712 .65 .0135 |
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F1 0 0 .7712 .35 .0135 |
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O2 .06106 .12212 .48347 .01023 |
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O3 .26510 .13255 .50989 .0125 |
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H3 .256 .128 .400 .045 |
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O4 .09310 .1862 .06931 .01017 |
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O5 .18433 .09217 .09025 .01010 |
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O6 .19581 .18592 .77662 .00840 |
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O7 .28489 .28483 .07811 .00850 |
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O8 .20927 .27006 .44018 .00962 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Elbaite |
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Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M, |
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Lengauer C, Prem M |
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European Journal of Mineralogy 20 (2008) 881-888 |
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Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship |
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to the pressure-temperature conditions of formation |
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Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar |
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Note: O5 and O6 z-coordinates changed to match reported bond lengths |
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_database_code_amcsd 0007264 |
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15.777 15.777 7.086 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2446 .53 .0225 |
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CaX 0 0 .2446 .09 .0225 |
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AlY .12079 .06040 -.34151 .667 .00799 |
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LiY .12079 .06040 -.34151 .3 .00799 |
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MnY .12079 .06040 -.34151 .03 .00799 |
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FeY .12079 .06040 -.34151 .003 .00799 |
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AlZ .29673 .26008 -.37240 .00647 |
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BT .19141 .18948 .01964 .065 .00539 |
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SiT .19141 .18948 .01964 .935 .00539 |
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B .10901 .21802 .4727 .0063 |
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O1 0 0 -.2045 .4 .0186 |
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OH1 0 0 -.2045 .6 .0186 |
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O2 .06021 .12042 .5106 .0130 |
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O3 .26139 .13069 -.47306 .01174 |
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O4 .09413 .18826 .09350 .00982 |
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O5 .18697 .09348 .11479 .01015 |
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O6 .19427 .18381 -.20587 .00768 |
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O7 .28625 .28584 .09589 .00718 |
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O8 .20953 .27006 .45705 .00766 |
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H3 .256 .1282 .411 .045 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Rondorfite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
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Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
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K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
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Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014723 |
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15.0850 15.0850 15.0850 90 90 90 *Fd3 |
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.125 .125 .125 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM1 .5 .5 .5 .00710 .00710 .00710 .00710 .00106 .00106 .00106 |
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CaM2 .34060 .125 .125 .00865 .0089 .0089 .0089 0 0 -.00155 |
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MgT2 .125 .125 .125 .912 .0061 .0061 .0061 .0061 0 0 0 |
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FeT2 .125 .125 .125 .028 .0061 .0061 .0061 .0061 0 0 0 |
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AlT2 .125 .125 .125 .060 .0061 .0061 .0061 .0061 0 0 0 |
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SiT1 .25943 .25943 .25943 .00521 .00521 .00521 .00521 .00018 .00018 .00018 |
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O1 .19679 .19679 .19679 .0121 .0121 .0121 .0121 -.0031 -.0031 -.0031 |
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O2 .60157 .29601 .01994 .0088 .0065 .0095 .0105 -.0012 .0003 -.0015 |
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Cl 0 0 0 .929 .0118 .0118 .0118 .0118 0 0 0 |
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O3 0 0 0 .071 .0118 .0118 .0118 .0118 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Almarudite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
|
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
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K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
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Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014724 |
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9.997 9.997 14.090 90 90 120 P6/mcc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KA 0 0 .25 .928 .0251 .0243 .0243 .0268 .0122 0 0 |
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NaB 1/3 2/3 .025 .050 .009 .002 .002 .02 .001 0 0 |
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MnM 1/3 2/3 .25 .529 .0106 .0109 .0109 .0099 .0055 0 0 |
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FeM 1/3 2/3 .25 .310 .0106 .0109 .0109 .0099 .0055 0 0 |
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MgM 1/3 2/3 .25 .161 .0106 .0109 .0109 .0099 .0055 0 0 |
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BeT2 .5 0 .25 .738 .0114 .0130 .0104 .0099 .0065 0 0 |
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AlT2 .5 0 .25 .262 .0114 .0130 .0104 .0099 .0065 0 0 |
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SiT1 .09503 .35169 .10857 .0085 .0090 .0104 .0066 .00521 -.00035 -.00154 |
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O1 .1130 .4089 0 .0221 .0373 .0206 .0074 .0138 0 0 |
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O2 .2077 .2827 .12747 .0241 .0273 .0373 .0216 .0265 -.0036 -.0064 |
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O3 .12912 .48752 .18076 .0150 .0236 .0156 .0105 .0132 -.0028 -.0040 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Wadalite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
|
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
|
K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
|
Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014725 |
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12.0343 12.0343 12.0343 90 90 90 I-43d |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM .10461 0 .25 .00965 .00924 .00832 .01138 0 0 .00175 |
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SiT2 .23312 .23312 .23312 .485 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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AlT2 .23312 .23312 .23312 .331 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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FeT2 .23312 .23312 .23312 .165 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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TiT2 .23312 .23312 .23312 .019 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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AlT1 .375 0 .25 .788 .0074 .0057 .00820 .00820 0 0 0 |
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SiT1 .375 0 .25 .050 .0074 .0057 .00820 .00820 0 0 0 |
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FeT1 .375 0 .25 .049 .0074 .0057 .00820 .00820 0 0 0 |
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MgT1 .375 0 .25 .113 .0074 .0057 .00820 .00820 0 0 0 |
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O1 .06319 .06319 .06319 .0142 .0142 .0142 .0142 .0033 .0033 .0033 |
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O2 .03132 .05061 .64877 .0130 .0130 .0108 .0152 .0011 -.0020 .0015 |
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Cl1 .875 0 .25 .949 .0206 .0085 .0267 .0267 0 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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