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NaNa2Mg5Si8O21(OH)3 |
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Camara F, Oberti R, Della Ventura G, Welch M D, Maresch W V |
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American Mineralogist 89 (2004) 1464-1473 |
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The crystal structure of synthetic NaNa2Mg5Si8O21(OH)3, a triclinic C-1 |
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amphibole with a triple-cell and H excess |
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Note: occupancies unreported, so calculated formula has an extra OH |
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_database_code_amcsd 0003648 |
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9.883 54.082 5.277 90.045 103.068 89.960 C-1 |
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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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NaM4 .0263 .09136 .5241 .0402 .0462 .0400 .0403 -.0094 .0220 -.0150 |
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NaM41 .4663 .25874 .4552 .0176 .0170 .0198 .0125 .0007 -.0039 .0010 |
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NaM42 .4738 .07400 .4547 .0412 .0787 .0265 .0288 .0169 .0338 .0123 |
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NaA 1/2 0 0 .0869 .0510 .1497 .0712 .0226 .0376 -.0094 |
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NaA1 .0214 .16632 1.0347 .0613 .0293 .1061 .0547 -.0126 .0224 .0017 |
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MgM1 .0069 .02984 .5070 .0181 .0142 .0160 .0204 -.0001 -.0037 .0003 |
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MgM2 .0121 .06009 .0054 .0178 .0157 .0136 .0234 .0041 .0030 .0024 |
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MgM3 0 0 0 .0136 .0150 .0139 .0067 .0078 -.0083 .0004 |
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MgM11 .5014 .19646 .4748 .0101 .0139 .0119 .0024 .0037 -.0027 -.0012 |
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MgM12 .5082 .13723 .4792 .0115 .0150 .0128 .0070 -.0002 .0031 .0001 |
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MgM21 .4926 .22672 -.0320 .0113 .0111 .0158 .0044 -.0027 -.0039 .0036 |
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MgM22 .5028 .10656 -.0313 .0157 .0172 .0163 .0154 -.0015 .0080 -.0035 |
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MgM31 -.4945 .16667 -.0216 .0090 .0118 .0111 .0029 -.0044 -.0007 .0007 |
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SiT1A -.2743 .02996 .7205 .0138 .0113 .0103 .0158 -.0027 -.0057 .0059 |
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SiT2A .7262 .05735 .2168 .0141 .0117 .0128 .0158 -.0038 -.0009 -.0004 |
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SiT1B .2840 .02651 .2948 .0124 .0091 .0091 .0144 .0013 -.0070 -.0009 |
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SiT2B .2984 .05545 .8031 .0125 .0088 .0106 .0145 -.0028 -.0052 -.0018 |
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SiT1A1 .2237 .19411 .6891 .0103 .0154 .0091 .0045 .0025 -.0018 -.0044 |
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SiT2A1 .2123 .22275 .1829 .0114 .0167 .0099 .0038 .0031 -.0059 -.0023 |
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SiT1A2 -.2143 .13924 .2663 .0104 .0110 .0165 .0037 -.0012 .0015 .0054 |
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SiT2A2 -.2025 .11051 .7792 .0123 .0155 .0127 .0079 .0018 .0011 .0047 |
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SiT1B1 .7816 .19566 .2634 .0098 .0148 .0127 .0014 .0009 .0007 .0024 |
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SiT2B1 .7146 .27655 .2307 .0153 .0286 .0083 .0082 -.0006 .0027 .0000 |
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SiT1B2 .2290 .13774 .6939 .0106 .0082 .0132 .0095 .0015 .0003 -.0023 |
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SiT2B2 .2236 .10980 .1892 .0103 .0083 .0156 .0082 -.0039 .0046 -.0011 |
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O1A -.1090 .02960 .7872 .0201 |
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O1B .1181 .02805 .2164 .0121 |
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O1A1 .3905 .19478 .7611 .0126 |
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O1A2 -.3788 .13801 .1910 .0095 |
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O1B1 .6155 .19553 .1905 .0124 |
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O1B2 .3936 .13737 .7613 .0125 |
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O2A -.1080 .05698 .2829 .0179 |
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O2B .1305 .05525 .7345 .0163 |
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O2A1 .3795 .22200 .2510 .0111 |
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O2A2 .6300 .10991 .6982 .0206 |
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O2B1 .6184 .22413 .6972 .0139 |
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O2B2 .3905 .11108 .2544 .0101 |
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O3 .8951 .00054 .2896 .0169 |
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O31 .4012 .16650 .2711 .0138 |
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O32 .6131 .16695 .6867 .0149 |
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O4A .6528 .08412 .2152 .0114 |
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O4B .3777 .08035 .8034 .0164 |
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O4A1 .3607 .25233 -.2083 .0237 |
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O4A2 -.1258 .08489 -.2022 .0209 |
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O4B1 .6389 .24954 .2020 .0222 |
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O4B2 .1533 .08374 .2094 .0155 |
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O5A .6617 .04459 .9383 .0258 |
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O5B .3562 .04030 .0887 .0247 |
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O5A1 .3458 .29010 .1121 .0081 |
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O5A2 -.1463 .12711 .0404 .0067 |
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O5B1 -.1526 .20763 .0352 .0142 |
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O5B2 .1610 .12182 .8972 .0086 |
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O6A .6649 .04161 .4330 .0236 |
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O6B .3485 .03643 .5894 .0237 |
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O6A1 .1616 .20230 .3912 .0087 |
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O6A2 -.1508 .12565 .5402 .0211 |
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O6B1 .6545 .29069 .4615 .0120 |
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O6B2 .1669 .12881 .3937 .0171 |
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O7 .3388 -.00203 .2863 .0130 |
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O71 .1672 .16558 .7118 .0166 |
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O72 -.1550 .16755 .2891 .0209 |
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H .8088 .00306 .2645 .0000 |
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H1 .3002 .16791 .2525 .0447 |
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H2 .7182 .16750 .7383 .0287 |
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HB1 .700 .243 .380 .5 |
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HA .695 .095 .390 .5 |
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HA2 .815 .075 .610 .5 |
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| 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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Sursassite |
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Gottschalk M, Fockenberg T, Grevel K-D, Wunder B, Wirth R, Schreyer W, Maresch W V |
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European Journal of Mineralogy 12 (2000) 935-945 |
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Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: |
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an analogue of sursassite |
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Sample: A53 |
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_database_code_amcsd 0006842 |
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8.5424 5.7117 9.6484 90 108.298 90 P2_1/m |
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atom x y z occ Uiso |
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MgM1 .1804 1/4 .3154 .005 |
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MgM2 .2765 1/4 .6718 .006 |
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AlM3 1/2 0 1/2 .58 .018 |
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MgM3 1/2 0 1/2 .42 .018 |
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AlM4 1/2 0 0 .005 |
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AlM5 0 0 0 .004 |
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SiT1 .3060 3/4 .1948 .0112 |
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SiT2 .2068 3/4 .8067 .0112 |
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SiT3 .1492 3/4 .4930 .0112 |
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O1 .251 .508 .498 .0054 |
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O2 .1898 .522 .1707 .0054 |
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O3 .3160 .514 .8243 .0054 |
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O4 .407 3/4 .0765 .0054 |
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O5 .457 3/4 .3586 .0054 |
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O6 .089 1/4 .9279 .0054 |
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O7 .442 1/4 .3632 .0054 |
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O8 .080 3/4 .8997 .0054 |
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O9 .076 3/4 .6357 .0054 |
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O10 -.026 3/4 .3549 .0054 |
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O11 .402 1/4 .0663 .0054 |
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H1 .145 1/4 .034 .01 |
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H2 .361 1/4 .263 .42 .01 |
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H3 -.107 3/4 .257 .01 |
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H4 .480 1/4 .166 .01 |
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| 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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