Kraisslite Cooper M A, Hawthorne F C Mineralogical Magazine 76 (2012) 2819-2836 Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA Locality: the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA _database_code_amcsd 0019752 8.1821 14.1946 43.9103 90 90 90 C222_1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Zn1 .14487 0 .5 .75 .01403 .0132 .0155 .0133 0 0 -.00286 Mn1 .14487 0 .5 .25 .01403 .0132 .0155 .0133 0 0 -.00286 Zn2 .23800 .36425 .50000 .72 .01380 .01495 .01365 .01278 -.00091 -.00254 .00125 Mn2 .23800 .36425 .50000 .28 .01380 .01495 .01365 .01278 -.00091 -.00254 .00125 MnM1 .02100 .22186 .33883 .00978 .00959 .00955 .01018 .00010 -.00126 .00073 MnM2 .02540 .22262 .44770 .01122 .0105 .01091 .0123 .00056 -.00085 .00125 MnM3 .03620 .46448 .05230 .01109 .0110 .01039 .0119 -.00002 -.00063 .00124 MnM4 .03715 .45962 .16205 .01161 .0093 .0125 .0130 -.00003 -.00091 .00386 MnM5 .10924 .00933 .39255 .78 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 ZnM5 .10924 .00933 .39255 .08 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 MgM5 .10924 .00933 .39255 .14 .01027 .0092 .0110 .0106 -.00037 -.00157 -.00024 MnM6 .10941 .00750 .28318 .83 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 ZnM6 .10941 .00750 .28318 .07 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 MgM6 .10941 .00750 .28318 .10 .01017 .0096 .0117 .0092 .00075 -.00007 .00110 MnM7 .25716 .11308 .10685 .77 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 ZnM7 .25716 .11308 .10685 .08 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 MgM7 .25716 .11308 .10685 .15 .01023 .0099 .0098 .0110 -.00080 .00148 .00033 MnM8 .25848 .11432 .21986 .85 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 SiM8 .25848 .11432 .21986 .07 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 MgM8 .25848 .11432 .21986 .08 .01205 .0134 .0105 .0123 .00030 -.00176 .00276 MnM9 .26996 .37826 .39286 .78 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 ZnM9 .26996 .37826 .39286 .08 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 MgM9 .26996 .37826 .39286 .14 .00997 .0101 .0092 .0105 -.00067 .00025 .00109 MnM10 .27731 .38450 .28114 .01210 .01036 .0125 .0135 -.00117 .00122 .00242 MnM11 .36630 .31424 .16118 .00993 .00965 .00945 .01071 -.00027 .00163 -.00090 MnM12 .36792 .31303 .05229 .01119 .0105 .01079 .01224 .00000 .00126 -.00020 MnM13 .37342 .16641 .39146 .28 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 MgM13 .37342 .16641 .39146 .22 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 FeM13 .37342 .16641 .39146 .42 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 AlM13 .37342 .16641 .39146 .08 .00945 .0088 .0087 .0109 -.00002 -.00023 .00000 As3+ .12685 .33013 .21500 .00906 .01052 .00924 .00743 .00010 .00039 -.00048 As5+T1 .36021 .17724 .29370 .00941 .00921 .00914 .00987 -.00022 -.00034 .00014 As5+T2 .37360 .16654 .48735 .24 .00669 .0075 .0071 .0056 -.0001 .00015 .00001 SiT2 .37360 .16654 .48735 .76 .00669 .0075 .0071 .0056 -.0001 .00015 .00001 As5+T3 .12655 -.00001 .04514 .17 .00713 .0074 .0074 .0066 -.0001 -.0001 .00022 SiT3 .12655 -.00001 .04514 .83 .00713 .0074 .0074 .0066 -.0001 -.0001 .00022 As5+T4 .12574 .33338 .09945 .04 .0074 .0080 .0075 .0067 -.0005 -.0001 -.0002 SiT4 .12574 .33338 .09945 .96 .0074 .0080 .0075 .0067 -.0005 -.0001 -.0002 As5+T5 .12740 .00039 .15588 .01 .0074 .0074 .0082 .0066 .0003 .0003 -.0003 SiT5 .12740 .00039 .15588 .99 .0074 .0074 .0082 .0066 .0003 .0003 -.0003 O1 .0597 .35285 .30455 .0130 .0094 .0160 .0137 -.0010 .0002 -.0014 O2 .1831 .22906 .19354 .0111 .0150 .0098 .0086 .0020 -.0016 -.0024 O3 .2443 .41020 .19261 .0105 .0114 .0106 .0096 -.0019 .0016 -.0003 O4 .1867 .13288 .30945 .0122 .0104 .0108 .0154 -.0028 .0024 -.0020 O5 .3240 .20671 .25743 .0200 .0263 .0234 .0102 -.0035 -.0040 .0034 O6 .4111 .28196 .30995 .0125 .0140 .0100 .0135 -.0019 -.0031 -.0023 O7 .5066 .09615 .30123 .0172 .0111 .0146 .0257 .0040 .0021 .0040 O8 .1264 .33338 .02492 .0111 .0116 .0139 .0078 .0007 -.0005 .0005 O9 .2477 .24754 .47414 .0110 .0102 .0118 .0112 .0009 -.0034 -.0010 O10 .3145 .06353 .47404 .0103 .0121 .0094 .0095 -.0010 .0022 -.0036 O11 .5582 .18868 .47408 .0101 .0079 .0119 .0104 -.0009 .0009 .0014 O12 .0962 .10684 .03156 .0118 .0157 .0093 .0105 .0025 .0019 .0012 O13 .1268 .00047 .08255 .0103 .0123 .0123 .0063 -.0002 .0017 -.0002 O14 .1988 .46215 .46857 .0116 .0091 .0147 .0108 -.0011 .0000 .0003 O15 .4811 .43160 .03151 .0119 .0126 .0101 .0130 -.0033 -.0027 .0016 O16 .0535 .35184 .41611 .0095 .0084 .0126 .0076 -.0005 -.0006 -.0010 O17 .1248 .33267 .13628 .0107 .0129 .0116 .0075 -.0007 -.0009 .0016 O18 .1884 .23446 .08393 .0111 .0140 .0078 .0114 .0016 -.0002 -.0009 O19 .2438 .41399 .08413 .0100 .0114 .0115 .0072 -.0024 .0003 .0003 O20 .4879 .41815 .35938 .0109 .0109 .0100 .0119 .0015 -.0000 -.0012 O21 .0630 .09830 .14020 .0107 .0123 .0108 .0090 .0019 .0011 .0003 O22 .1229 .00186 .19298 .0100 .0127 .0126 .0047 .0014 -.0000 .0016 O23 .1900 .48342 .35819 .0111 .0093 .0120 .0121 -.0009 -.0003 -.0016 Oh1 .1768 .13016 .41875 .0121 .0146 .0108 .0108 .0013 -.0015 -.0011 Oh2 .1962 .49748 .25168 .0127 .0136 .0114 .0131 -.0006 .0002 -.0035 Oh3 .2355 .25616 .36447 .0120 .0114 .0144 .0101 -.0029 -.0001 -.0015 Oh4 .3111 .05324 .36331 .0120 .0116 .0127 .0117 .0021 .0012 .0010 Oh5 .4195 .28349 .41901 .0127 .0094 .0170 .0118 .0001 -.0014 .0012 Oh6 .4231 .18940 .13633 .0126 .0143 .0106 .0130 .0007 -.0037 -.0012 Oh7 .5266 .08603 .41902 .0127 .0153 .0113 .0114 -.0007 .0009 .0001 Oh8 0 .0982 .25 .0220 .030 .0110 .0254 0 -.0156 0 Oh9 .5 .3958 .25 .0135 .0128 .0115 .0163 0 .0023 0 H1 .253 .113 .4350 .051 H2 .090 .486 .2422 .051 H3 .297 .274 .3462 .051 H4 .252 .077 .3456 .051 H5 .349 .281 .4371 .051 H6 .434 .135 .1500 .051 H7 .539 .120 .4384 .051 H8 0 .1672 .25 .051 H9 .5 .3268 .25 .051