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Holdawayite |
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Peacor D R, Rouse R C |
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American Mineralogist 73 (1988) 637-642 |
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Holdawayite, Mn6(CO3)2(OH)7(Cl,OH), a structure containing anions in |
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zeolite-like channels |
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_database_code_amcsd 0001165 |
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23.437 3.3137 16.618 90 111.15 90 C2/m |
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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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Mn1 .0965 0 .2971 .97 .0143 .0134 .0140 0 .0059 0 |
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Mn2 .4350 0 .2229 .0146 .0088 .0157 0 .0062 0 |
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Mn3 .8440 0 .3167 .96 .0144 .0134 .0160 0 .0062 0 |
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Mn4 .6775 0 .1729 .76 .0142 .0147 .0136 0 .0047 0 |
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Mn5 .6661 0 .4915 .96 .0209 .0127 .0126 0 .0030 0 |
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Mn6 .8374 0 .0164 .93 .0203 .0125 .0146 0 .0078 0 |
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C1 .7306 0 .3650 .0157 .0097 .0168 0 .0070 0 |
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C2 .2858 0 .1378 .0140 .0070 .0212 0 .0090 0 |
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O1 .7463 0 .2973 .0093 .0240 .0075 0 .0052 0 |
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O2 .7721 0 .4421 .0113 .0265 .0064 0 -.0012 0 |
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O3 .9187 0 .1312 .0115 .0146 .0108 0 .0078 0 |
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O4 .1255 0 .1893 .0158 .0182 .0062 0 .0050 0 |
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O5 .6311 0 .0385 .0095 .0198 .0068 0 .0007 0 |
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O6 .5353 0 .2458 .0155 .0117 .0175 0 .0023 0 |
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O7 .3658 0 .4023 .0043 .0197 .0101 0 .0002 0 |
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O8 .2984 0 .0677 .0200 .0258 .0096 0 .0094 0 |
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O9 .9331 0 .3058 .0043 .0168 .0096 0 .0005 0 |
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O10 .1064 0 .4269 .0108 .0181 .0060 0 .0051 0 |
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O11 .6732 0 .3572 .0078 .0164 .0230 0 .0113 0 |
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O12 .2288 0 .1302 .0035 .0253 .0214 0 .0038 0 |
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O13 .3291 0 .2131 .0055 .0246 .0103 0 .0010 0 |
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Cl1 0 0 0 .23 .0313 |
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Cl2 0 0 .5 .24 .0385 |
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Cl3 0 .5 .5 .26 .0306 |
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Cl4 0 .2625 .5 .17 .0212 |
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Cl5 0 .1547 0 .31 .084 |
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H1 .96 0 .36 |
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H2 .596 0 .019 |
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H3 .943 0 .106 |
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H4 .401 0 .423 |
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H5 .084 0 .453 |
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H6 .534 0 .183 |
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H7 .109 0 .148 |
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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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