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Oxy-dravite |
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Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
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American Mineralogist 84 (1999) 922-928 |
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Linking structure and chemistry in the schorl-dravite series |
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Sample LCW2356 |
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Locality: Dunton mine, Newry, Oxford County, Maine, USA |
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_database_code_amcsd 0002240 |
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15.915 15.915 7.187 90 90 120 R3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .25 .418 .00120 .00120 .0064 .00060 0 0 |
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CaX 0 0 .25 .370 .00120 .00120 .0064 .00060 0 0 |
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KX 0 0 .25 .027 .00120 .00120 .0064 .00060 0 0 |
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MgY .27110 .54220 .3196 .506 .00095 .00114 .0063 .00057 .000385 .00077 |
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FeY .27110 .54220 .3196 .183 .00095 .00114 .0063 .00057 .000385 .00077 |
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AlY .27110 .54220 .3196 .364 .00095 .00114 .0063 .00057 .000385 .00077 |
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TiY .27110 .54220 .3196 .012 .00095 .00114 .0063 .00057 .000385 .00077 |
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VY .27110 .54220 .3196 .003 .00095 .00114 .0063 .00057 .000385 .00077 |
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LiY .27110 .54220 .3196 .002 .00095 .00114 .0063 .00057 .000385 .00077 |
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CrY .27110 .54220 .3196 .003 .00095 .00114 .0063 .00057 .000385 .00077 |
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AlZ .29793 .26154 .6312 .830 .00053 .00056 .0021 .000265 -.00005 0 |
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MgZ .29793 .26154 .6312 .170 .00053 .00056 .0021 .000265 -.00005 0 |
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SiT .19192 .18999 .0193 .00056 .00053 .00223 .000265 .000025 -.000145 |
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B .1097 .2194 .4714 .0008 .0012 .0020 .0006 -.00015 -.0003 |
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O1 0 0 .7933 .848 .0014 .0014 .0029 .0007 0 0 |
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OH1 0 0 .7933 .018 .0014 .0014 .0029 .0007 0 0 |
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F1 0 0 .7933 .134 .0014 .0014 .0029 .0007 0 0 |
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O2 .0607 .1214 .5018 .0013 .0009 .0059 .00045 .00005 .0001 |
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OH3 .2649 .13245 .5301 .0026 .0014 .0022 .0013 .00015 .000075 |
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O4 .0928 .1856 .0908 .00090 .0017 .0037 .00085 -.0001 -.0002 |
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O5 .1831 .09155 .1115 .0017 .00076 .0045 .00085 .00025 .000125 |
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O6 .1958 .1857 .7965 .00105 .00107 .0026 .00059 -.00035 -.00025 |
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O7 .2853 .2849 .0986 .00086 .00081 .0039 .000295 -.00025 -.0002 |
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O8 .2091 .2696 .4599 .00063 .00088 .0049 .000355 .0001 .0003 |
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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 (permalink) |
| |
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Oxy-dravite |
| |
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
|
American Mineralogist 84 (1999) 922-928 |
|
Linking structure and chemistry in the schorl-dravite series |
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Sample Ru-T18-92 |
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Locality: Rumford, Oxford County, Maine, USA |
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_database_code_amcsd 0002245 |
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15.945 15.945 7.169 90 90 120 R3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .25 .626 .0019 .0019 .0077 .00095 0 0 |
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CaX 0 0 .25 .061 .0019 .0019 .0077 .00095 0 0 |
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KX 0 0 .25 .031 .0019 .0019 .0077 .00095 0 0 |
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MgY .27103 .54206 .3151 .366 .00071 .00097 .0053 .000485 .00024 .00048 |
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Fe2Y .27103 .54206 .3151 .176 .00071 .00097 .0053 .000485 .00024 .00048 |
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AlY .27103 .54206 .3151 .318 .00071 .00097 .0053 .000485 .00024 .00048 |
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Fe3Y .27103 .54206 .3151 .087 .00071 .00097 .0053 .000485 .00024 .00048 |
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TiY .27103 .54206 .3151 .041 .00071 .00097 .0053 .000485 .00024 .00048 |
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CrY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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VY .27103 .54206 .3151 .003 .00071 .00097 .0053 .000485 .00024 .00048 |
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LiY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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MnY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048 |
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AlZ .29813 .26163 .6300 .894 .00059 .00052 .00231 .00026 .00000 .000055 |
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MgZ .29813 .26163 .6300 .106 .00059 .00052 .00231 .00026 .00000 .000055 |
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SiT .19181 .18982 .0188 .00062 .00054 .00250 .000275 -.00001 -.000145 |
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B .1102 .2204 .4733 .0009 .0008 .0027 .0004 -.00005 -.0001 |
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O1 0 0 .7954 .669 .0018 .0018 .0050 .0009 0 0 |
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F1 0 0 .7954 .331 .0018 .0018 .0050 .0009 0 0 |
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O2 .06143 .12286 .5041 .00155 .0008 .0050 .0004 .0003 .0006 |
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O3 .2660 .1330 .5283 .106 .0023 .00119 .0034 .00115 -.0002 -.0001 |
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OH3 .2660 .1330 .5283 .894 .0023 .00119 .0034 .00115 -.0002 -.0001 |
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O4 .0931 .1862 .0888 .00082 .0019 .0039 .00095 .0000 .0000 |
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O5 .1859 .09295 .1106 .0016 .00065 .0045 .0008 .00015 .000075 |
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O6 .1966 .1864 .7947 .00116 .00122 .0025 .00070 -.0003 -.00035 |
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O7 .2851 .2854 .0979 .00085 .00069 .0036 .00024 -.0001 -.00025 |
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O8 .2097 .2705 .4596 .00071 .00101 .0050 .00055 -.00015 .0003 |
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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 (permalink) |
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Oxy-dravite |
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Bosi F, Skogby H |
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American Mineralogist 98 (2013) 1442-1448 |
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Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species |
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of the tourmaline supergroup |
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Locality: Osarara, Narok district, Kenya |
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_database_code_amcsd 0020259 |
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15.9273 15.9273 7.20010 90 90 120 R3m |
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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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NaX 0 0 .22939 .830 .0223 .0217 .0217 .0235 .0108 .000 .000 |
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KX 0 0 .22939 .020 .0223 .0217 .0217 .0235 .0108 .000 .000 |
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AlY .12223 .061116 .63657 .447 .00881 .00895 .00675 .01145 .00448 -.00316 -.00158 |
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MgY .12223 .061116 .63657 .343 .00881 .00895 .00675 .01145 .00448 -.00316 -.00158 |
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FeY .12223 .061116 .63657 .203 .00881 .00895 .00675 .01145 .00448 -.00316 -.00158 |
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TiY .12223 .061116 .63657 .007 .00881 .00895 .00675 .01145 .00448 -.00316 -.00158 |
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AlZ .297683 .261493 .61014 .825 .00552 .00531 .00536 .00583 .00262 -.00008 .00039 |
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MgZ .297683 .261493 .61014 .172 .00552 .00531 .00536 .00583 .00262 -.00008 .00039 |
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FeZ .297683 .261493 .61014 .003 .00552 .00531 .00536 .00583 .00262 -.00008 .00039 |
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B .10989 .21978 .45430 .00626 .0054 .0060 .0076 .0030 .00027 .0005 |
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Si .191532 .189631 0 .00490 .00458 .00429 .00590 .00226 -.00054 -.00061 |
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O1 0 0 .7698 .76 .0110 .0127 .0127 .0075 .00637 .000 .000 |
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OH1 0 0 .7698 .24 .0110 .0127 .0127 .0075 .00637 .000 .000 |
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O2 .06076 .12151 .48724 .00918 .0112 .0042 .0098 .00210 .00044 .0009 |
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O3 .26112 .13056 .50994 .01206 .0221 .0124 .0049 .0110 .0008 .00040 |
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H3 .2453 .1227 .396 .018 |
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O4 .09356 .18712 .07152 .00936 .0070 .0140 .0094 .00699 -.00075 -.0015 |
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O5 .18445 .09223 .09252 .00900 .0148 .0066 .0083 .00740 .0016 .00080 |
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O6 .19447 .18433 .77729 .00751 .0090 .0089 .0054 .00505 -.00081 -.00140 |
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O7 .28509 .28474 .07754 .00776 .0064 .0053 .0084 .00047 -.00179 -.00106 |
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O8 .20920 .27005 .43936 .00909 .0039 .0088 .0140 .00275 .00051 .00227 |
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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 (permalink) |
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Oxy-dravite |
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Gatta G D, Bosi F, McIntyre G J, Skogby H |
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Mineralogical Magazine 78 (2014) 681-692 |
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First accurate location of two proton sites in tourmaline: A single-crystal |
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neutron diffraction study of oxy-dravite |
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Note: H1 site on the three-fold axis |
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Locality: Osarara, Narok District, Kenya |
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_database_code_amcsd 0020483 |
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15.9272 15.9272 7.2001 90 90 120 R3m |
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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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NaX 0 0 .2323 .866 .0105 .0082 .0082 .0150 .0041 0 0 |
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AlY .12264 .06132 .63587 .526 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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MgY .12264 .06132 .63587 .274 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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FeY .12264 .06132 .63587 .2 .00528 .0054 .0033 .0078 .0027 .0028 .0014 |
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AlZ .29767 .26140 .61072 .841 .00251 .0023 .0020 .0030 .0008 .0004 .0001 |
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MgZ .29767 .26140 .61072 .159 .00251 .0023 .0020 .0030 .0008 .0004 .0001 |
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B .10991 .21982 .45430 .00353 .0023 .0022 .0060 .0011 .0004 .0007 |
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SiT .19161 .18988 .00084 .00300 .0028 .0023 .0039 .0013 .0005 .0004 |
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O1 0 0 .77115 .00943 .0111 .0111 .0060 .0056 0 .0000 |
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O2 .06069 .12138 .48767 .00766 .0096 .0032 .0080 .0016 .0004 .0009 |
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O3 .26138 .13069 .50988 1.008 .01060 .0188 .0104 .0054 .0094 .0007 .0004 |
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O4 .09379 .18759 .07268 .00618 .0042 .0088 .0071 .0044 .0007 .0014 |
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O5 .18437 .09219 .09380 .00603 .0082 .0042 .0070 .0041 .0007 .0003 |
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O6 .19456 .18438 .77774 .00579 .0073 .0075 .0045 .0052 .0007 .0008 |
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O7 .28540 .28484 .07821 .00586 .0049 .0036 .0070 .0006 .0024 .0005 |
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O8 .20920 .27008 .43993 .00688 .0034 .0061 .0112 .0025 .0006 .0011 |
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H3 .25760 .12880 .37511 .983 .0263 .0469 .0299 .0081 .0232 .0009 .0005 |
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H1 0 0 .9042 .245 .030 |
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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 (permalink) |
| |
|
Oxy-dravite |
| |
Gatta G D, Bosi F, McIntyre G J, Skogby H |
| |
Mineralogical Magazine 78 (2014) 681-692 |
|
First accurate location of two proton sites in tourmaline: A single-crystal |
|
neutron diffraction study of oxy-dravite |
|
Note: H1 site off the three-fold axis |
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Locality: Osarara, Narok District, Kenya |
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_database_code_amcsd 0020484 |
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15.9272 15.9272 7.2001 90 90 120 R3m |
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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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NaX 0 0 .2324 .873 .0107 .0087 .0087 .0148 .0043 0 0 |
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AlY .12267 .06134 .63585 .529 .00519 .0052 .0033 .0078 .0026 -.0028 -.0014 |
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MgY .12267 .06134 .63585 .271 .00519 .0052 .0033 .0078 .0026 -.0028 -.0014 |
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FeY .12267 .06134 .63585 .2 .00519 .0052 .0033 .0078 .0026 -.0028 -.0014 |
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AlZ .29768 .26140 .61077 .825 .00266 .0023 .0021 .0033 .0009 -.0004 -.0001 |
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MgZ .29768 .26140 .61077 .175 .00266 .0023 .0021 .0033 .0009 -.0004 -.0001 |
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B .10989 .21979 .45431 .00353 .0024 .0023 .0059 .0011 .0004 .0007 |
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SiT .19162 .18987 .00078 .00295 .0028 .0022 .0039 .0012 -.0005 -.0004 |
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O1 0 0 .77118 .00933 .0110 .0110 .0059 .0055 0 0 |
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O2 .06069 .12138 .48769 .00765 .0096 .0032 .0080 .0016 .0004 .0008 |
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O3 .26136 .13068 .50988 1.013 .01077 .0191 .0105 .0055 .0095 .0009 .0004 |
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O4 .09382 .18763 .07268 .00622 .0041 .0088 .0072 .0044 -.0007 -.0013 |
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O5 .18437 .09219 .09380 .00599 .0081 .0042 .0070 .0041 .0006 .0003 |
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O6 .19459 .18441 .77775 .00578 .0072 .0076 .0045 .0052 -.0006 -.0008 |
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O7 .28541 .28486 .07822 .00587 .0050 .0036 .0070 .0006 -.0024 -.0005 |
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O8 .20919 .27007 .43990 .00684 .0033 .0060 .0112 .0024 .0006 .0011 |
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H3 .25766 .12883 .37526 .954 .0252 .0451 .0288 .0072 .0226 .0008 .0004 |
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H1 .0194 .0097 .9043 .101 .014 |
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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 (permalink) |
| |
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