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Kraisslite |
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Cooper M A, Hawthorne F C |
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Mineralogical Magazine 76 (2012) 2819-2836 |
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Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, |
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from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA |
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Locality: the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA |
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_database_code_amcsd 0019752 |
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8.1821 14.1946 43.9103 90 90 90 C222_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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Zn1 .14487 0 .5 .75 .01403 .0132 .0155 .0133 0 0 -.00286 |
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Mn1 .14487 0 .5 .25 .01403 .0132 .0155 .0133 0 0 -.00286 |
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Zn2 .23800 .36425 .50000 .72 .01380 .01495 .01365 .01278 -.00091 -.00254 .00125 |
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Mn2 .23800 .36425 .50000 .28 .01380 .01495 .01365 .01278 -.00091 -.00254 .00125 |
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MnM1 .02100 .22186 .33883 .00978 .00959 .00955 .01018 .00010 -.00126 .00073 |
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MnM2 .02540 .22262 .44770 .01122 .0105 .01091 .0123 .00056 -.00085 .00125 |
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MnM3 .03620 .46448 .05230 .01109 .0110 .01039 .0119 -.00002 -.00063 .00124 |
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MnM4 .03715 .45962 .16205 .01161 .0093 .0125 .0130 -.00003 -.00091 .00386 |
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MnM5 .10924 .00933 .39255 .78 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 |
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ZnM5 .10924 .00933 .39255 .08 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 |
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MgM5 .10924 .00933 .39255 .14 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 |
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MnM6 .10941 .00750 .28318 .83 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 |
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ZnM6 .10941 .00750 .28318 .07 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 |
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MgM6 .10941 .00750 .28318 .10 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 |
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MnM7 .25716 .11308 .10685 .77 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 |
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ZnM7 .25716 .11308 .10685 .08 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 |
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MgM7 .25716 .11308 .10685 .15 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 |
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MnM8 .25848 .11432 .21986 .85 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 |
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SiM8 .25848 .11432 .21986 .07 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 |
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MgM8 .25848 .11432 .21986 .08 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 |
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MnM9 .26996 .37826 .39286 .78 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 |
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ZnM9 .26996 .37826 .39286 .08 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 |
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MgM9 .26996 .37826 .39286 .14 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 |
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MnM10 .27731 .38450 .28114 .01210 .01036 .0125 .0135 -.00117 .00122 .00242 |
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MnM11 .36630 .31424 .16118 .00993 .00965 .00945 .01071 -.00027 .00163 -.00090 |
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MnM12 .36792 .31303 .05229 .01119 .0105 .01079 .01224 .00000 .00126 -.00020 |
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MnM13 .37342 .16641 .39146 .28 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 |
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MgM13 .37342 .16641 .39146 .22 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 |
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FeM13 .37342 .16641 .39146 .42 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 |
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AlM13 .37342 .16641 .39146 .08 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 |
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As3+ .12685 .33013 .21500 .00906 .01052 .00924 .00743 .00010 .00039 -.00048 |
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As5+T1 .36021 .17724 .29370 .00941 .00921 .00914 .00987 -.00022 -.00034 .00014 |
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As5+T2 .37360 .16654 .48735 .24 .00669 .0075 .0071 .0056 -.0001 .00015 .00001 |
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SiT2 .37360 .16654 .48735 .76 .00669 .0075 .0071 .0056 -.0001 .00015 .00001 |
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As5+T3 .12655 -.00001 .04514 .17 .00713 .0074 .0074 .0066 -.0001 -.0001 .00022 |
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SiT3 .12655 -.00001 .04514 .83 .00713 .0074 .0074 .0066 -.0001 -.0001 .00022 |
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As5+T4 .12574 .33338 .09945 .04 .0074 .0080 .0075 .0067 -.0005 -.0001 -.0002 |
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SiT4 .12574 .33338 .09945 .96 .0074 .0080 .0075 .0067 -.0005 -.0001 -.0002 |
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As5+T5 .12740 .00039 .15588 .01 .0074 .0074 .0082 .0066 .0003 .0003 -.0003 |
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SiT5 .12740 .00039 .15588 .99 .0074 .0074 .0082 .0066 .0003 .0003 -.0003 |
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O1 .0597 .35285 .30455 .0130 .0094 .0160 .0137 -.0010 .0002 -.0014 |
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O2 .1831 .22906 .19354 .0111 .0150 .0098 .0086 .0020 -.0016 -.0024 |
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O3 .2443 .41020 .19261 .0105 .0114 .0106 .0096 -.0019 .0016 -.0003 |
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O4 .1867 .13288 .30945 .0122 .0104 .0108 .0154 -.0028 .0024 -.0020 |
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O5 .3240 .20671 .25743 .0200 .0263 .0234 .0102 -.0035 -.0040 .0034 |
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O6 .4111 .28196 .30995 .0125 .0140 .0100 .0135 -.0019 -.0031 -.0023 |
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O7 .5066 .09615 .30123 .0172 .0111 .0146 .0257 .0040 .0021 .0040 |
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O8 .1264 .33338 .02492 .0111 .0116 .0139 .0078 .0007 -.0005 .0005 |
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O9 .2477 .24754 .47414 .0110 .0102 .0118 .0112 .0009 -.0034 -.0010 |
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O10 .3145 .06353 .47404 .0103 .0121 .0094 .0095 -.0010 .0022 -.0036 |
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O11 .5582 .18868 .47408 .0101 .0079 .0119 .0104 -.0009 .0009 .0014 |
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O12 .0962 .10684 .03156 .0118 .0157 .0093 .0105 .0025 .0019 .0012 |
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O13 .1268 .00047 .08255 .0103 .0123 .0123 .0063 -.0002 .0017 -.0002 |
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O14 .1988 .46215 .46857 .0116 .0091 .0147 .0108 -.0011 .0000 .0003 |
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O15 .4811 .43160 .03151 .0119 .0126 .0101 .0130 -.0033 -.0027 .0016 |
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O16 .0535 .35184 .41611 .0095 .0084 .0126 .0076 -.0005 -.0006 -.0010 |
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O17 .1248 .33267 .13628 .0107 .0129 .0116 .0075 -.0007 -.0009 .0016 |
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O18 .1884 .23446 .08393 .0111 .0140 .0078 .0114 .0016 -.0002 -.0009 |
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O19 .2438 .41399 .08413 .0100 .0114 .0115 .0072 -.0024 .0003 .0003 |
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O20 .4879 .41815 .35938 .0109 .0109 .0100 .0119 .0015 -.0000 -.0012 |
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O21 .0630 .09830 .14020 .0107 .0123 .0108 .0090 .0019 .0011 .0003 |
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O22 .1229 .00186 .19298 .0100 .0127 .0126 .0047 .0014 -.0000 .0016 |
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O23 .1900 .48342 .35819 .0111 .0093 .0120 .0121 -.0009 -.0003 -.0016 |
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Oh1 .1768 .13016 .41875 .0121 .0146 .0108 .0108 .0013 -.0015 -.0011 |
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Oh2 .1962 .49748 .25168 .0127 .0136 .0114 .0131 -.0006 .0002 -.0035 |
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Oh3 .2355 .25616 .36447 .0120 .0114 .0144 .0101 -.0029 -.0001 -.0015 |
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Oh4 .3111 .05324 .36331 .0120 .0116 .0127 .0117 .0021 .0012 .0010 |
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Oh5 .4195 .28349 .41901 .0127 .0094 .0170 .0118 .0001 -.0014 .0012 |
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Oh6 .4231 .18940 .13633 .0126 .0143 .0106 .0130 .0007 -.0037 -.0012 |
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Oh7 .5266 .08603 .41902 .0127 .0153 .0113 .0114 -.0007 .0009 .0001 |
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Oh8 0 .0982 .25 .0220 .030 .0110 .0254 0 -.0156 0 |
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Oh9 .5 .3958 .25 .0135 .0128 .0115 .0163 0 .0023 0 |
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H1 .253 .113 .4350 .051 |
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H2 .090 .486 .2422 .051 |
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H3 .297 .274 .3462 .051 |
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H4 .252 .077 .3456 .051 |
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H5 .349 .281 .4371 .051 |
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H6 .434 .135 .1500 .051 |
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H7 .539 .120 .4384 .051 |
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H8 0 .1672 .25 .051 |
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H9 .5 .3268 .25 .051 |
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View JMOL 3-D Structure (permalink) |
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