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Bannisterite |
 |
Heaney P J, Post J E, Evans H T |
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Clays and Clay Minerals 40 (1992) 129-144 |
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The crystal structure of bannisterite |
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Locality: Broken Hill, Australia |
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_database_code_amcsd 0012233 |
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22.286 16.3860 24.575 90 94.355 90 A2/a |
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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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Mn1 .06358 .39253 .25829 .553 .0098 .0137 .0191 -.0027 .0026 -.0023 |
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Fe1 .06358 .39253 .25829 .457 .0098 .0137 .0191 -.0027 .0026 -.0023 |
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Mg1 .06358 .39253 .25829 .014 .0098 .0137 .0191 -.0027 .0026 -.0023 |
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Zn1 .06358 .39253 .25829 .007 .0098 .0137 .0191 -.0027 .0026 -.0023 |
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Mn2 .06277 .19548 .24175 .553 .0077 .0093 .0186 -.0006 .0021 .0004 |
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Fe2 .06277 .19548 .24175 .457 .0077 .0093 .0186 -.0006 .0021 .0004 |
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Mg2 .06277 .19548 .24175 .014 .0077 .0093 .0186 -.0006 .0021 .0004 |
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Zn2 .06277 .19548 .24175 .007 .0077 .0093 .0186 -.0006 .0021 .0004 |
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Mn3 .18953 .48491 .25869 .553 .0108 .0104 .0221 .0002 .0021 .0008 |
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Fe3 .18953 .48491 .25869 .457 .0108 .0104 .0221 .0002 .0021 .0008 |
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Mg3 .18953 .48491 .25869 .014 .0108 .0104 .0221 .0002 .0021 .0008 |
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Zn3 .18953 .48491 .25869 .007 .0108 .0104 .0221 .0002 .0021 .0008 |
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Mn4 .18545 .28550 .24081 .553 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
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Fe4 .18545 .28550 .24081 .457 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
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Mg4 .18545 .28550 .24081 .014 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
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Zn4 .18545 .28550 .24081 .007 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
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Mn5 .18608 .08489 .23210 .553 .0131 .0119 .0237 .0003 .0025 -.0015 |
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Fe5 .18608 .08489 .23210 .457 .0131 .0119 .0237 .0003 .0025 -.0015 |
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Mg5 .18608 .08489 .23210 .014 .0131 .0119 .0237 .0003 .0025 -.0015 |
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Zn5 .18608 .08489 .23210 .007 .0131 .0119 .0237 .0003 .0025 -.0015 |
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Mn6 .31230 .38450 .24632 .553 .0105 .0110 .0262 .0003 .0033 .0007 |
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Fe6 .31230 .38450 .24632 .457 .0105 .0110 .0262 .0003 .0033 .0007 |
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Mg6 .31230 .38450 .24632 .014 .0105 .0110 .0262 .0003 .0033 .0007 |
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Zn6 .31230 .38450 .24632 .007 .0105 .0110 .0262 .0003 .0033 .0007 |
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Mn7 .31093 .18718 .23597 .553 .0097 .0103 .0241 .0013 .0033 .0017 |
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Fe7 .31093 .18718 .23597 .457 .0097 .0103 .0241 .0013 .0033 .0017 |
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Mg7 .31093 .18718 .23597 .014 .0097 .0103 .0241 .0013 .0033 .0017 |
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Zn7 .31093 .18718 .23597 .007 .0097 .0103 .0241 .0013 .0033 .0017 |
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Mn8 .43892 .49370 .26521 .553 .0156 .0165 .0268 .0014 .0019 .0041 |
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Fe8 .43892 .49370 .26521 .457 .0156 .0165 .0268 .0014 .0019 .0041 |
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Mg8 .43892 .49370 .26521 .014 .0156 .0165 .0268 .0014 .0019 .0041 |
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Zn8 .43892 .49370 .26521 .007 .0156 .0165 .0268 .0014 .0019 .0041 |
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Mn9 .43639 .29220 .24845 .553 .0084 .0089 .0199 .0014 .0010 .0014 |
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Fe9 .43639 .29220 .24845 .457 .0084 .0089 .0199 .0014 .0010 .0014 |
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Mg9 .43639 .29220 .24845 .014 .0084 .0089 .0199 .0014 .0010 .0014 |
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Zn9 .43639 .29220 .24845 .007 .0084 .0089 .0199 .0014 .0010 .0014 |
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Mn10 .43533 .09264 .23354 .553 .0125 .0112 .0226 .0017 .0039 .0017 |
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Fe10 .43533 .09264 .23354 .457 .0125 .0112 .0226 .0017 .0039 .0017 |
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Mg10 .43533 .09264 .23354 .014 .0125 .0112 .0226 .0017 .0039 .0017 |
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Zn10 .43533 .09264 .23354 .007 .0125 .0112 .0226 .0017 .0039 .0017 |
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Si1 .12276 .40089 .14051 .0096 .0083 .0096 -.0016 .0030 -.0016 |
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Si2 .39916 .40131 .14150 .0094 .0085 .0154 .0018 -.0008 -.0010 |
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Si3 .52154 .31697 .14636 .0074 .0074 .0136 -.0003 .0008 -.0002 |
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Si4 .52222 .13100 .12898 .0086 .0074 .0155 .0009 .0001 .0002 |
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Si5 .64427 .04517 .12842 .0072 .0093 .0168 -.0011 .0016 -.0015 |
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Si6 .63928 .41348 .15170 .0055 .0072 .0139 -.0003 .0003 .0005 |
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Si7 .76188 .32840 .15216 .0072 .0068 .0143 -.0007 .0008 -.0002 |
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Si8 .76141 .14342 .14244 .0078 .0069 .0161 -.0009 .0021 -.0013 |
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Si9 .87505 .04534 .12707 .0066 .0102 .0163 -.0005 .0029 -.0027 |
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Si10 .88437 .41307 .15211 .0083 .0068 .0135 -.0006 .0012 .0010 |
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Si11 .00105 .31627 .14439 .0075 .0073 .0151 -.0001 .0020 -.0012 |
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Si12 .99775 .13038 .12698 .0090 .0099 .0160 -.0025 .0039 -.0027 |
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Si13 .11169 .10688 .06476 .844 .0119 .0094 .0134 -.0002 .0024 .0005 |
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Al13 .11169 .10688 .06476 .156 .0119 .0094 .0134 -.0002 .0024 .0005 |
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Si14 .18347 .27205 .06454 .575 .0126 .0117 .0145 -.0004 .0023 -.0011 |
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Al14 .18347 .27205 .06454 .425 .0126 .0117 .0145 -.0004 .0023 -.0011 |
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Si15 .32627 .27292 .06505 .478 .0126 .0116 .0147 .0002 .0002 -.0013 |
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Al15 .32627 .27292 .06505 .522 .0126 .0116 .0147 .0002 .0002 -.0013 |
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Si16 .39845 .10772 .06564 .921 .0111 .0088 .0136 -.0006 .0011 -.0001 |
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Al16 .39845 .10772 .06564 .079 .0111 .0088 .0136 -.0006 .0011 -.0001 |
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O1 .1384 .3901 .2052 .0154 .0103 .0189 .0022 .0050 .0013 |
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O2 .3959 .3922 .2063 .0136 .0142 .0137 .0033 .0013 .0000 |
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O3 .4793 .1914 .2884 .0119 .0144 .0143 .0014 .0024 .0003 |
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O4 .4808 .3903 .3072 .0151 .0201 .0157 .0044 .0039 .0030 |
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O5 .3564 .4791 .3075 .0147 .0173 .0215 .0052 .0015 .0006 |
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O6 .3564 .0850 .2826 .0084 .0091 .0163 -.0003 -.0006 -.0008 |
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O7 .2319 .1794 .2820 .0131 .0149 .0116 -.0004 .0009 .0005 |
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O8 .2317 .3730 .2930 .0130 .0105 .0116 .0009 .0010 -.0007 |
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O9 .1134 .4773 .3089 .0123 .0153 .0176 .0007 .0010 -.0037 |
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O10 .1071 .0870 .2818 .0127 .0093 .0156 -.0017 .0016 -.0016 |
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O11 .0129 .3061 .2094 .0100 .0135 .0143 .0024 .0039 .0006 |
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O12 .0127 .1098 .1910 .0145 .0217 .0144 -.0030 .0015 -.0013 |
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O13 .1033 .0975 -.0007 .0275 .0293 .0095 -.0051 -.0058 -.0016 |
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O14 .1670 .2985 .0001 .0229 .0133 .0192 .0056 -.0016 .0017 |
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O15 .1303 .4967 .1257 .0200 .0098 .0134 -.0018 -.0015 .0007 |
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O16 .0537 .3726 .1221 .0124 .0195 .0167 -.0079 .0036 .0018 |
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O17 .1686 .3518 .1053 .0168 .0155 .0238 -.0036 .0050 -.0041 |
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O18 .1410 .1941 .0838 .0173 .0198 .0203 -.0006 .0044 .0009 |
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O19 .0461 .0926 .0894 .0148 .0136 .0269 .0000 .0080 -.0023 |
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O20 .1545 .0336 .0907 .0150 .0162 .0363 -.0012 .0070 .0086 |
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O21 .2556 .2515 .0784 .0218 .0205 .0284 .0034 .0050 .0007 |
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O22 .3908 .4970 .1262 .0209 .0110 .0170 .0007 .0007 -.0001 |
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O23 .4640 .3712 .1235 .0140 .0221 .0135 .0063 .0023 .0024 |
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O24 .3477 .3531 .1064 .0201 .0171 .0218 .0010 -.0014 -.0046 |
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O25 .3721 .1942 .0844 .0150 .0175 .0189 -.0013 .0020 -.0007 |
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O26 .3598 .0348 .0908 .0148 .0160 .0306 .0045 -.0016 .0094 |
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O27 .4668 .0937 .0918 .0127 .0113 .0281 .0010 -.0050 -.0050 |
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O28 .4801 .2717 .3817 .0251 .0094 .0166 -.0018 .0019 -.0006 |
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O29 .2993 .1252 .3697 .0077 .0119 .0203 .0022 .0025 .0022 |
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O30 .4179 .1404 .3712 .0136 .0175 .0245 -.0078 .0038 .0004 |
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O31 .4164 .4063 .3921 .0112 .0189 .0134 .0032 .0033 -.0009 |
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O32 .3011 .3946 .3830 .0136 .0195 .028 -.0024 .0022 .0034 |
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O33 .2399 .2616 .3740 .0230 .0107 .0148 -.0006 -.0008 .0000 |
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O34 .1811 .1229 .3691 .0135 .0143 .0179 -.0043 .0031 .0011 |
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O35 .0634 .1422 .3725 .0123 .0164 .0229 .0044 .0030 -.0031 |
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O36 .0018 .2722 .3841 .0181 .0116 .0197 .0006 -.0010 -.0019 |
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O37 .0676 .4058 .3937 .0112 .0142 .0267 -.0055 .0064 -.0024 |
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O38 .1826 .3964 .3853 .0117 .0220 .0176 .0044 .0022 -.0004 |
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OH39 .0201 .4958 .2247 .0104 .0135 .0218 -.0027 .0026 -.0027 |
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OH40 .3931 .1955 .1991 .0114 .0150 .0183 .0014 .0054 -.0023 |
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OH41 .2701 .4893 .2172 .0100 .0102 .0262 -.0008 .0045 .0036 |
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OH42 .2654 .2891 .2006 .0183 .0106 .0228 -.0031 .0040 .0019 |
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OH43 .2681 .0850 .1933 .0172 .0136 .0192 .0013 .0027 -.0016 |
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OH44 .1401 .1912 .1978 .0152 .0149 .0162 -.0028 .0018 -.0003 |
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OH45 .3550 .2826 .2868 .0078 .0157 .0223 .0001 .0001 .0003 |
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OH46 .1093 .2850 .2880 .0135 .0111 .0108 -.0021 .0013 .0015 |
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Ca .2292 .5584 .0003 .5 .077 .044 .121 -.008 .004 -.008 |
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K1 .25 .9720 0 .263 .107 .133 .036 0 -.007 0 |
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K2 .0176 .9745 .0012 .152 .042 .070 .027 -.051 .004 -.007 |
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Wat50 .2558 .4709 .0742 .033 .026 .117 -.001 .011 -.015 |
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Wat51 .1485 .4734 .0001 .5 .044 .053 .043 -.001 -.004 .008 |
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Wat52 .1412 .6409 .0008 .5 .166 .071 .084 .040 .016 -.013 |
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Wat53 .2467 .6981 -.0041 .5 .275 .066 .084 -.025 .025 -.020 |
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Wat54 .3361 .5479 -.0013 .5 .066 .208 .091 .041 .006 .003 |
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Wat55 .1762 .8110 .0020 .5 .318 .075 .072 -.025 -.026 .003 |
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Wat56 .4100 .4461 .0015 .5 .386 .143 .063 -.150 -.016 .002 |
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Wat57 .25 .0928 0 .33 .074 .145 .097 0 .018 0 |
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Wat58 .4781 .2807 -.0005 .57 .319 .763 .143 .079 .058 -.116 |
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Wat59 .0402 .5529 -.0035 .93 .304 .458 .362 .192 .039 .096 |
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Wat60 .3925 .7495 -.0023 .5 .315 .627 .099 -.119 .017 -.050 |
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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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Bannisterite |
|
Heaney P J, Post J E, Evans H T |
| |
Clays and Clay Minerals 40 (1992) 129-144 |
|
The crystal structure of bannisterite |
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Locality: Franklin Furnace, New Jersey, USA |
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_database_code_amcsd 0012234 |
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22.265 16.368 24.668 90 94.285 90 A2/a |
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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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Mn1 .06395 .39172 .25824 .622 .0082 .0083 .0126 -.0009 .0000 -.0010 |
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Fe1 .06395 .39172 .25824 .145 .0082 .0083 .0126 -.0009 .0000 -.0010 |
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Mg1 .06395 .39172 .25824 .143 .0082 .0083 .0126 -.0009 .0000 -.0010 |
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Zn1 .06395 .39172 .25824 .101 .0082 .0083 .0126 -.0009 .0000 -.0010 |
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Mn2 .06248 .19552 .24150 .622 .0063 .0084 .0117 -.0008 .0001 -.0002 |
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Fe2 .06248 .19552 .24150 .145 .0063 .0084 .0117 -.0008 .0001 -.0002 |
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Mg2 .06248 .19552 .24150 .143 .0063 .0084 .0117 -.0008 .0001 -.0002 |
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Zn2 .06248 .19552 .24150 .101 .0063 .0084 .0117 -.0008 .0001 -.0002 |
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Mn3 .18958 .48451 .25857 .622 .0070 .0093 .0143 .0005 .0000 .0018 |
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Fe3 .18958 .48451 .25857 .145 .0070 .0093 .0143 .0005 .0000 .0018 |
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Mg3 .18958 .48451 .25857 .143 .0070 .0093 .0143 .0005 .0000 .0018 |
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Zn3 .18958 .48451 .25857 .101 .0070 .0093 .0143 .0005 .0000 .0018 |
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Mn4 .18614 .28580 .23989 .622 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
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Fe4 .18614 .28580 .23989 .145 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
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Mg4 .18614 .28580 .23989 .143 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
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Zn4 .18614 .28580 .23989 .101 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
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Mn5 .18593 .08659 .23173 .622 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
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Fe5 .18593 .08659 .23173 .145 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
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Mg5 .18593 .08659 .23173 .143 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
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Zn5 .18593 .08659 .23173 .101 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
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Mn6 .31203 .38372 .24574 .622 .0079 .0096 .0180 .0010 .0002 .0023 |
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Fe6 .31203 .38372 .24574 .145 .0079 .0096 .0180 .0010 .0002 .0023 |
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Mg6 .31203 .38372 .24574 .143 .0079 .0096 .0180 .0010 .0002 .0023 |
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Zn6 .31203 .38372 .24574 .101 .0079 .0096 .0180 .0010 .0002 .0023 |
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Mn7 .31049 .18732 .23522 .622 .0075 .0088 .0163 .0004 .0066 .0009 |
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Fe7 .31049 .18732 .23522 .145 .0075 .0088 .0163 .0004 .0066 .0009 |
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Mg7 .31049 .18732 .23522 .143 .0075 .0088 .0163 .0004 .0066 .0009 |
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Zn7 .31049 .18732 .23522 .101 .0075 .0088 .0163 .0004 .0066 .0009 |
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Mn8 .43868 .49424 .26580 .622 .0085 .0107 .0161 .0024 .0003 .0035 |
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Fe8 .43868 .49424 .26580 .145 .0085 .0107 .0161 .0024 .0003 .0035 |
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Mg8 .43868 .49424 .26580 .143 .0085 .0107 .0161 .0024 .0003 .0035 |
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Zn8 .43868 .49424 .26580 .101 .0085 .0107 .0161 .0024 .0003 .0035 |
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Mn9 .43620 .29186 .24771 .622 .0074 .0104 .0148 .0013 .0000 .0041 |
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Fe9 .43620 .29186 .24771 .145 .0074 .0104 .0148 .0013 .0000 .0041 |
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Mg9 .43620 .29186 .24771 .143 .0074 .0104 .0148 .0013 .0000 .0041 |
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Zn9 .43620 .29186 .24771 .101 .0074 .0104 .0148 .0013 .0000 .0041 |
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Mn10 .43463 .09284 .23280 .622 .0092 .0106 .0153 .0014 .0000 .0021 |
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Fe10 .43463 .09284 .23280 .145 .0092 .0106 .0153 .0014 .0000 .0021 |
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Mg10 .43463 .09284 .23280 .143 .0092 .0106 .0153 .0014 .0000 .0021 |
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Zn10 .43463 .09284 .23280 .101 .0092 .0106 .0153 .0014 .0000 .0021 |
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Si1 .12270 .40077 .14081 .0110 .0090 .0104 -.0018 .0004 -.0012 |
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Si2 .39940 .40175 .14188 .0108 .0092 .0107 .0012 -.0021 -.0001 |
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Si3 .52182 .31674 .14681 .0106 .0084 .0102 -.0001 -.0011 -.0009 |
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Si4 .52240 .13016 .12889 .0101 .0095 .0128 .0005 -.0019 .0000 |
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Si5 .64491 .04461 .12863 .0095 .0096 .0125 -.0008 -.0016 -.0011 |
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Si6 .63959 .41334 .15176 .0090 .0089 .0120 .0001 -.0011 .0012 |
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Si7 .76218 .32817 .15285 .0095 .0085 .0118 .0007 -.0001 .0002 |
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Si8 .76175 .14303 .14316 .0078 .0077 .0133 -.0002 -.0014 .0005 |
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Si9 .87565 .04426 .12768 .0085 .0104 .0124 .0013 -.0005 -.0016 |
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Si10 .88471 .41233 .15251 .0083 .0082 .0108 -.0009 -.0006 .0004 |
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Si11 .00114 .31556 .14498 .0086 .0081 .0108 -.0008 -.0003 -.0011 |
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Si12 .99855 .12907 .12746 .0111 .0091 .0121 -.0006 .0001 -.0004 |
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Si13 .11195 .10663 .06457 .812 .0141 .0106 .0113 .0000 .0015 .0000 |
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Al13 .11195 .10663 .06457 .188 .0141 .0106 .0113 .0000 .0015 .0000 |
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Si14 .18290 .27325 .06420 .645 .0137 .0126 .0108 .0004 -.0006 -.0009 |
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Al14 .18290 .27325 .06420 .355 .0137 .0126 .0108 .0004 -.0006 -.0009 |
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Si15 .32666 .27436 .06447 .446 .0120 .0140 .0136 .0003 -.0012 -.0014 |
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Al15 .32666 .27436 .06447 .554 .0120 .0140 .0136 .0003 -.0012 -.0014 |
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Si16 .39832 .10806 .06528 .921 .0106 .0102 .0109 .0005 -.0011 .0001 |
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Al16 .39832 .10806 .06528 .079 .0106 .0102 .0109 .0005 -.0011 .0001 |
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O1 .1376 .3892 .2052 .0114 .0112 .0163 -.0019 -.0023 .0017 |
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O2 .3955 .3924 .2069 .0112 .0117 .0141 -.0018 .0015 -.0014 |
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O3 .4797 .1919 .2884 .0109 .0100 .0184 .0019 .0020 -.0001 |
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O4 .4824 .3917 .3077 .0116 .0169 .0163 -.0002 -.0006 .0063 |
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O5 .3570 .4795 .3083 .0112 .0159 .0208 -.0014 .0001 .0006 |
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O6 .3564 .0855 .2829 .0119 .0111 .0113 -.0010 -.0009 -.0021 |
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O7 .2323 .1795 .2823 .0142 .0094 .0102 .0000 .0022 -.0004 |
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O8 .2324 .3728 .2925 .0121 .0109 .0122 -.0030 -.0017 -.0010 |
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O9 .1129 .4785 .3089 .0138 .0115 .0177 -.0022 .0016 -.0010 |
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O10 .1081 .0883 .2825 .0105 .0108 .0138 -.0020 -.0009 .0005 |
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O11 .0129 .3051 .2098 .0119 .0126 .0128 -.0031 .0022 .0020 |
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O12 .0125 .1081 .1913 .0134 .0140 .0161 -.0065 -.0004 .0020 |
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O13 .1029 .0964 -.0007 .0328 .0238 .0146 -.0061 -.0016 .0005 |
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O14 .1662 .3003 .0009 .0196 .0194 .0215 .0039 -.0017 .0010 |
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O15 .1300 .4961 .1258 .0235 .0111 .0135 -.0052 -.0019 .0015 |
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O16 .0536 .3725 .1235 .0147 .0151 .0130 -.0051 -.0036 .0042 |
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O17 .1678 .3514 .1054 .0193 .0193 .0145 .0011 -.0008 .0009 |
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O18 .1406 .1956 .0820 .0171 .0236 .0132 -.0008 -.0010 -.0024 |
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O19 .0469 .0914 .0899 .0207 .0101 .0203 -.0032 .0022 -.0026 |
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O20 .1557 .0336 .0909 .0200 .0168 .0274 -.0027 .0059 .0045 |
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O21 .2553 .2530 .0762 .0166 .0237 .0189 -.0016 .0008 -.0050 |
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O22 .3923 .4979 .1276 .0177 .0130 .0142 .0027 -.0027 -.0002 |
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O23 .4644 .3715 .1242 .0151 .0166 .0114 .0072 -.0003 .0023 |
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O24 .3472 .3541 .1064 .0150 .0158 .0199 -.0035 -.0053 .0000 |
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O25 .3720 .1943 .0827 .0173 .0189 .0174 .0018 -.0058 -.0010 |
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O26 .3594 .0352 .0905 .0101 .0205 .0271 .0004 -.0059 .0028 |
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O27 .4673 .0933 .0911 .0082 .0120 .0295 -.0005 -.0076 -.0029 |
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O28 .4791 .2721 .3808 .0204 .0125 .0139 -.0001 -.0033 .0001 |
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O29 .2992 .1252 .3695 .0101 .0145 .0152 .0031 -.0022 -.0006 |
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O30 .4181 .1402 .3714 .0157 .0181 .0144 -.0044 -.0044 .0021 |
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O31 .4164 .4063 .3917 .0118 .0173 .0101 .0030 .0006 .0010 |
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O32 .3010 .3947 .3828 .0136 .0214 .0166 -.0039 -.0045 .0073 |
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O33 .2389 .2621 .3739 .0213 .0105 .0132 -.0016 -.0037 -.0023 |
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O34 .1811 .1234 .3684 .0151 .0135 .0115 -.0019 -.0036 .0027 |
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O35 .0632 .1434 .3713 .0136 .0172 .0151 .0047 -.0028 -.0038 |
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O36 .0006 .2728 .3831 .0245 .0103 .0138 -.0002 -.0025 .0004 |
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O37 .0674 .4063 .3925 .0173 .0153 .0175 -.0016 -.0017 .0050 |
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O38 .1818 .3971 .3845 .0167 .0193 .0150 .0060 .0007 .0004 |
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OH39 .0203 .4961 .2229 .0193 .0107 .0136 -.0014 .0001 -.0001 |
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OH40 .3926 .1967 .1983 .0184 .0114 .0186 .0041 .0020 -.0006 |
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OH41 .2704 .4897 .2159 .0158 .0097 .0151 .0024 .0018 -.0004 |
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OH42 .2656 .2898 .2005 .0139 .0161 .0160 .0028 -.0005 .0060 |
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OH43 .2684 .0841 .1937 .0162 .0152 .0113 .0013 -.0005 .0009 |
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OH44 .1393 .1924 .1975 .0151 .0135 .0129 -.0033 -.0015 -.0003 |
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OH45 .3552 .2839 .2874 .0148 .0131 .0143 .0004 -.0014 -.0007 |
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OH46 .1092 .2856 .2895 .0156 .0124 .0139 -.0019 -.0012 -.0019 |
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Ca .2309 .5613 .0010 .5 .075 .044 .110 -.011 .000 .000 |
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K1 .2653 .9560 -.0030 .188 .119 .106 .0080 .008 -.055 -.011 |
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K2 .0182 .9721 .0012 .192 .056 .097 .022 -.062 -.008 .005 |
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Wat50 .2550 .4707 .0753 .041 .040 .087 -.005 -.004 -.018 |
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Wat51 .1496 .4745 .0003 .5 .049 .039 .040 .010 -.003 .001 |
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Wat52 .1360 .6495 -.0009 .5 .134 .0142 .129 .047 -.012 .006 |
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Wat53 .2594 .6961 -.0036 .5 .581 .118 .072 -.216 .064 -.044 |
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Wat54 .3393 .5582 .0012 .5 .094 .503 .077 .004 -.008 -.023 |
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Wat55 .1716 .8285 -.0003 .5 .345 .195 .028 -.089 -.018 -.001 |
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Wat56 .4098 .4543 .0021 .5 .740 .245 .091 .029 .123 .028 |
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Wat57 .25 .1054 0 .43 .067 .110 .100 0 -.031 0 |
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Wat58 .5000 .2932 -.0007 .46 .740 .611 .007 .338 -.010 -.005 |
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Wat59 .4670 .5607 .0092 .67 .262 .695 .383 -.330 .151 -.214 |
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Wat60 .3837 .7969 -.0003 .5 .299 .556 .184 -.142 -.042 .003 |
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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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