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Ba(N3)2 |
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Walitzi E M, Krischner H |
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Zeitschrift fur Kristallographie 129 (1969) 153-156 |
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Strukturuntersuchungen an bariumazid Ba(N3)2 |
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_database_code_amcsd 0010681 |
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9.63 4.41 5.43 90 99.57 90 P2_1/m |
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atom x y z |
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Ba .218 .25 .172 |
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N1 .100 .75 .869 |
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N2 .108 .75 .661 |
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N3 .117 .75 .448 |
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N4 .417 .75 .224 |
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N5 .461 .25 .747 |
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N6 .339 .25 .708 |
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Magnesiohastingsite |
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Walitzi E M, Walter F |
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Zeitschrift fur Kristallographie 156 (1981) 197-208 |
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Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites |
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Locality: Untertiefenbach, Austria |
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_database_code_amcsd 0010840 |
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9.880 18.0120 5.324 90 105.26 90 C2/m |
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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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NaA2 0 .489 0 .170 .024 .024 .024 0 0 0 |
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KA2 0 .489 0 .075 .024 .024 .024 0 0 0 |
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NaAm .044 .5 .092 .145 .0233 .0233 .0233 0 0 0 |
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KAm .044 .5 .092 .100 .0233 .0233 .0233 0 0 0 |
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CaM4 0 .2792 .5 .950 .0082 .0097 .0132 0 .0033 0 |
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NaM4 0 .2792 .5 .050 .0082 .0097 .0132 0 .0033 0 |
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FeM1 0 .0864 .5 .290 .0094 .0145 .0129 0 .0015 0 |
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MgM1 0 .0864 .5 .710 .0094 .0145 .0129 0 .0015 0 |
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Fe2+M2 0 .1772 0 .094 .0120 .0114 .0144 0 .0026 0 |
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Fe3+M2 0 .1772 0 .264 .0120 .0114 .0144 0 .0026 0 |
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MgM2 0 .1772 0 .572 .0120 .0114 .0144 0 .0026 0 |
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TiM2 0 .1772 0 .105 .0120 .0114 .0144 0 .0026 0 |
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Fe2+M3 0 0 0 .094 .0107 .0112 .0134 0 .0031 0 |
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Fe3+M3 0 0 0 .264 .0107 .0112 .0134 0 .0031 0 |
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MgM3 0 0 0 .572 .0107 .0112 .0134 0 .0031 0 |
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TiM3 0 0 0 .105 .0107 .0112 .0134 0 .0031 0 |
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SiT1 .2802 .0856 .3037 .600 .0036 .0052 .0081 .0000 .0010 -.0002 |
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AlT1 .2802 .0856 .3037 .400 .0036 .0052 .0081 .0000 .0010 -.0002 |
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SiT2 .2912 .1728 .8137 .885 .0038 .0050 .0079 .0000 .0011 .0005 |
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AlT2 .2912 .1728 .8137 .115 .0038 .0050 .0079 .0000 .0011 .0005 |
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O1 .1044 .0883 .218 .0085 .0092 .0101 -.0016 .0014 -.0004 |
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O2 .1188 .1728 .733 .0099 .0090 .0112 -.0001 .0017 -.0002 |
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OH3 .1061 0 .713 .0132 .0156 .0114 0 .0038 0 |
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O4 .3661 .2505 .788 .0085 .0109 .0154 -.0007 .0034 .0014 |
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O5 .3498 .1409 .114 .0104 .0117 .0133 -.0010 .0021 .0007 |
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O6 .3454 .1169 .611 .0127 .0121 .0171 -.0001 .0059 -.0018 |
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O7 .3369 0 .280 .0140 .0126 .0167 0 .0034 0 |
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Anthophyllite |
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Walitzi E M, Walter F, Ettinger K |
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Zeitschrift fur Kristallographie 188 (1989) 237-244 |
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Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich |
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_database_code_amcsd 0010994 |
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18.544 18.026 5.282 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na4 .1239 -.0094 .3897 .005 .80 .0115 .0113 .0078 .0017 .0031 .0015 |
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Ca4 .1239 -.0094 .3897 .01 .80 .0115 .0113 .0078 .0017 .0031 .0015 |
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Mg4 .1239 -.0094 .3897 .38 .80 .0115 .0113 .0078 .0017 .0031 .0015 |
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Fe4 .1239 -.0094 .3897 .595 .80 .0115 .0113 .0078 .0017 .0031 .0015 |
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Mn4 .1239 -.0094 .3897 .01 .80 .0115 .0113 .0078 .0017 .0031 .0015 |
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Fel .1251 .1634 .3930 .02 .56 .0089 .0052 .0070 -.0001 -.0005 .0005 |
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Mgl .1251 .1634 .3930 .98 .56 .0089 .0052 .0070 -.0001 -.0005 .0005 |
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Mg2 .1250 .0731 -.1084 .55 .0089 .0048 .0072 -.0001 -.0004 -.0001 |
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Fe3 .1255 .25 -.1070 .01 .52 .0075 .0058 .0063 0 -.0017 0 |
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Mg3 .1255 .25 -.1070 .99 .52 .0075 .0058 .0063 0 -.0017 0 |
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Si1A .2305 -.1655 -.4330 .99375 .45 .0064 .0052 .0057 -.0001 .0004 -.0009 |
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Al1A .2305 -.1655 -.4330 .00625 .45 .0064 .0052 .0057 -.0001 .0004 -.0009 |
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Si1B .0186 -.1664 .2743 .99375 .48 .0063 .0052 .0068 -.0001 -.0009 -.0002 |
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Al1B .0186 -.1664 .2743 .00625 .48 .0063 .0052 .0068 -.0001 -.0009 -.0002 |
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Si2A .2271 -.0798 .0637 .99375 .51 .0066 .0062 .0066 .0002 -.0006 -.0004 |
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Al2A .2271 -.0798 .0637 .00625 .51 .0066 .0062 .0066 .0002 -.0006 -.0004 |
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Si2B .0245 -.0817 -.2246 .99375 .53 .0079 .0065 .0056 -.0010 .0005 -.0006 |
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Al2B .0245 -.0817 -.2246 .00625 .53 .0079 .0065 .0056 -.0010 .0005 -.0006 |
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O1A .1825 .1635 .0599 .64 .0089 .0063 .0092 -.0001 .0006 .0010 |
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O1B .0682 .1636 -.2725 .68 .0113 .0073 .0073 .0009 -.0011 -.0002 |
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O2A .1857 .0773 -.4370 .63 .0091 .0085 .0063 -.0001 -.0001 .0009 |
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O2B .0631 .0772 .2209 .71 .0066 .0102 .0104 -.0009 -.0016 .0001 |
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OH3A .1831 .25 -.4427 .76 .0124 .0076 .0090 0 .0011 0 |
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OH3B .0697 .25 .2270 .65 .0130 .0072 .0047 0 .0007 0 |
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O4A .1868 -.0012 .0743 .85 .0126 .0101 .0097 .0036 .0014 -.0006 |
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O4B .0668 -.0068 -.2908 .77 .0094 .0088 .0112 -.0022 .0002 .0027 |
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O5A .1973 -.1178 .3321 .82 .0103 .0135 .0073 -.0002 -.0015 .0031 |
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O5B .0504 -.1118 .0565 .59 .0080 .0082 .0062 -.0023 -.0015 .0025 |
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O6A .2003 -.1310 -.1712 .78 .0116 .0104 .0077 -.0014 .0010 -.0047 |
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O6B .0486 -.1404 -.4496 .88 .0112 .0121 .0100 .0022 -.0001 -.0025 |
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O7A .2025 .75 .5405 .80 .0138 .0036 .0131 0 -.0034 0 |
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O7B .0464 .75 .2220 .88 .0080 .0071 .0182 0 .0014 0 |
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|
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Denningite |
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Walitzi E M |
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Naturwissenschaften 51 (1964) 334-335 |
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Die kristallstruktur von denningit, (Mn,Ca,Zn)Te2O5 |
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_database_code_amcsd 0014692 |
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8.82 8.82 13.04 90 90 90 *P4_2/nbc |
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.25 -.25 .25 |
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atom x y z occ |
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MnM1 .25 .25 0 .56 |
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CaM1 .25 .25 0 .30 |
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ZnM1 .25 .25 0 .12 |
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MgM1 .25 .25 0 .02 |
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MnM2 .25 .25 .25 .56 |
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CaM2 .25 .25 .25 .30 |
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ZnM2 .25 .25 .25 .12 |
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MgM2 .25 .25 .25 .02 |
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Te .038 .565 .382 |
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O1 .163 .102 .355 |
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O2 .015 .376 .445 |
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O3 .558 .558 .25 |
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|
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View JMOL 3-D Structure
|
| |
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