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Phase-X |
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Mancini F, Harlow G E, Cahill C L |
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American Mineralogist 87 (2002) 302-306 |
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The crystal structure and cation ordering of phase-X - |
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(K1-x-n)2(Mg1-n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing |
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phase in the mantle |
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_database_code_amcsd 0002757 |
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5.028 5.028 13.216 90 90 120 P6_3cm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 0 0 .0127 .0102 .0102 .0065 .0051 0 0 |
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Si2 0 0 .2602 .0069 .0069 .0001 .00345 0 0 |
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MgM -1/3 1/3 .1377 .92 .0080 .0080 .0137 .0040 0 0 |
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AlM -1/3 1/3 .1377 .03 .0080 .0080 .0137 .0040 0 0 |
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CrM -1/3 1/3 .1377 .01 .0080 .0080 .0137 .0040 0 0 |
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K .3532 .6453 .3875 .0153 .0239 .0082 -.0030 .0026 -.0001 |
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O1 .3124 0 .2284 .0051 .0035 .0052 .00175 .0005 0 |
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O2 0 0 -.1110 .0201 .0201 .0084 .01005 0 0 |
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O3 -.3106 0 .0493 .0153 .0201 .0190 .01005 -.0004 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Zoltaiite |
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Bartholomew P R, Mancini F, Cahill C L, Harlow G E, Bernhardt H J |
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American Mineralogist 90 (2005) 1655-1660 |
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Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: |
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Description and crystal structure |
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Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada |
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_database_code_amcsd 0003940 |
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7.601 7.601 9.219 90 90 120 P-3 |
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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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Ba 0 0 .5 .0093 .0098 .0098 .0084 .0049 0 0 |
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V3+1 .2070 .9557 .1377 .915 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Fe3+1 .2070 .9557 .1377 .06 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Fe2+1 .2070 .9557 .1377 .02 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Mg1 .2070 .9557 .1377 .005 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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V3+2 .0869 .4589 .6355 .928 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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Cr2 .0869 .4589 .6355 .056 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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Al2 .0869 .4589 .6355 .003 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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V4+3 1/3 2/3 .3578 .345 .0082 .0081 .0081 .0085 .0040 0 0 |
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Ti4+3 1/3 2/3 .3578 .655 .0082 .0081 .0081 .0085 .0040 0 0 |
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Si 1/3 2/3 .9409 .0067 .0079 .0079 .0042 .0039 0 0 |
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O1 .1777 .7455 .9908 .0073 .0074 .0071 .0087 .0045 .0008 -.0010 |
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O2 .2957 .4474 .5043 .0092 .0097 .0073 .0084 .0025 .0002 .0006 |
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O3 2/3 1/3 .2403 .0077 .0087 .0087 .0056 .0043 0 0 |
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O4 .0385 .2255 .7511 .0076 .0087 .0095 .0063 .0058 -.0014 -.0008 |
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O5 .0952 .4839 .2593 .0080 .0085 .0083 .0074 .0042 -.0006 -.0037 |
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O6 0 0 0 .0066 .0047 .0047 .0105 .0023 0 0 |
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Hornblende |
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Mancini F, Sillanpaa R, Marshall B, Papunen H |
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The Canadian Mineralogist 34 (1996) 835-844 |
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Magnesian hornblende from a metamorphosed ultramafic body in southwestern |
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Finland: crystal chemistry and petrological implications |
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Locality: southwestern Finland |
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_database_code_amcsd 0005506 |
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9.857 18.112 5.309 90 104.81 90 C2/m |
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atom x y z occ Uiso |
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SiT1 .28043 .08473 .29766 .82 .00039 |
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AlT1 .28043 .08473 .29766 .18 .00039 |
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SiT2 .28980 .17165 .80710 .00044 |
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MgM1 0 .08867 .5 .71 .00072 |
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FeM1 0 .08867 .5 .29 .00072 |
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MgM2 0 .17758 0 .69 .00050 |
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FeM2 0 .17758 0 .15 .00050 |
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AlM2 0 .17758 0 .14 .00050 |
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TiM2 0 .17758 0 .03 .00050 |
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MgM3 0 0 0 .67 .00064 |
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FeM3 0 0 0 .33 .00064 |
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CaM4 0 .27859 .5 .415 .00102 |
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NaM4 0 .27859 .5 .04 .00102 |
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FeM4 0 .27859 .5 .03 .00102 |
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MgM4 0 .27859 .5 .005 .00102 |
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MnM4 0 .27859 .5 .005 .00102 |
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CaM4' 0 .25303 .5 .415 .00141 |
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NaM4' 0 .25303 .5 .04 .00141 |
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FeM4' 0 .25303 .5 .03 .00141 |
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MgM4' 0 .25303 .5 .005 .00141 |
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MnM4' 0 .25303 .5 .005 .00141 |
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NaA(2/m) 0 .5 0 .155 .00463 |
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KA(2/m) 0 .5 0 .005 .00463 |
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NaA(2) 0 .51594 0 .155 .00627 |
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KA(2) 0 .51594 0 .005 .00627 |
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H .20245 0 .77002 .00117 |
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O1 .10972 .08803 .21450 .00122 |
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O2 .11919 .17282 .72856 .00116 |
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O3 .11049 0 .71371 .9 .00120 |
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F3 .11049 0 .71371 .1 .00120 |
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O4 .36759 .24858 .79144 .00141 |
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O5 .34774 .13612 .10242 .00139 |
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O6 .34322 .11856 .59259 .00133 |
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O7 .33548 0 .28790 .00147 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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