Welshite Grew E S, Barbier J, Britten J, Halenius U, Shearer C K American Mineralogist 92 (2007) 80-90 The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite- sapphirine-surinamite group mineral _database_code_amcsd 0004268 10.394 10.777 8.896 105.953 96.294 124.948 P1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) CaM8A -.18235 -.60723 -.40103 .01295 .0116 .0153 .0133 .0092 .0029 .0061 MgM7A -.9834 -.7343 -.2664 .0090 .0097 .0094 .0079 .0058 .0043 .0037 SbM7 .00111 .73408 .26722 .00660 .00631 .00714 .00669 .00446 .00241 .00267 MgM1 .00014 .00010 .50002 .87 .0077 .0083 .0082 .0058 .0054 .0014 .0017 MnM1 .00014 .00010 .50002 .13 .0077 .0083 .0082 .0058 .0054 .0014 .0017 MgM2 .01798 .50023 .99824 .92 .0073 .0077 .0054 .0059 .0038 .0016 .0006 MnM2 .01798 .50023 .99824 .08 .0073 .0077 .0054 .0059 .0038 .0016 .0006 MgM3 .3239 .8482 .1761 .95 .0078 .0074 .0085 .0080 .0047 .0034 .0048 MnM3 .3239 .8482 .1761 .05 .0078 .0074 .0085 .0080 .0047 .0034 .0048 MgM4 .7795 .8236 .1511 .94 .0082 .0095 .0091 .0083 .0065 .0037 .0047 MnM4 .7795 .8236 .1511 .06 .0082 .0095 .0091 .0083 .0065 .0037 .0047 MgM5 .10217 .93896 .0591 .66 .0080 .0068 .0089 .0103 .0048 .0037 .0064 MnM5 .10217 .93896 .0591 .34 .0080 .0068 .0089 .0103 .0048 .0037 .0064 MgM6 .60094 .93429 .06176 .64 .0085 .0076 .0112 .0097 .0064 .0041 .0067 MnM6 .60094 .93429 .06176 .36 .0085 .0076 .0112 .0097 .0064 .0041 .0067 CaM8 .21764 .61485 .39909 .89 .01173 .0128 .0112 .0114 .0081 .0019 .0046 MnM8 .21764 .61485 .39909 .11 .01173 .0128 .0112 .0114 .0081 .0019 .0046 CaM9 .65965 .60580 .38813 .97 .01094 .0090 .0106 .0099 .0043 .0039 .0044 MnM9 .65965 .60580 .38813 .03 .01094 .0090 .0106 .0099 .0043 .0039 .0044 SbM3A -.30241 -.85907 -.16766 .00697 .00568 .00645 .00894 .00378 .00267 .00341 SbM4A -.77663 -.83350 -.14338 .00631 .00595 .00769 .00564 .00450 .00204 .00265 MgM5A -.0876 -.9431 -.0495 .91 .0073 .0051 .0077 .0076 .0040 .0012 .0021 MnM5A -.0876 -.9431 -.0495 .09 .0073 .0051 .0077 .0076 .0040 .0012 .0021 MgM6A -.5963 -.9576 -.0515 .98 .0078 .0078 .0087 .0088 .0062 .0034 .0033 MnM6A -.5963 -.9576 -.0515 .02 .0078 .0078 .0087 .0088 .0062 .0034 .0033 CaM9A -.65242 -.59444 -.39025 .92 .01082 .0095 .0096 .0125 .0053 .0045 .0050 MnM9A -.65242 -.59444 -.39025 .08 .01082 .0095 .0096 .0125 .0053 .0045 .0050 SiT1 .48339 .23642 .33405 .0069 .0064 .0062 .0057 .0035 .0002 .0015 BeT4 .2828 .3376 .2293 .0096 .010 .014 .009 .008 .006 .007 AlT6A -.35486 -.56862 -.05331 .56 .00665 .0056 .0061 .0066 .0035 .0013 .0015 FeT6A -.35486 -.56862 -.05331 .44 .00665 .0056 .0061 .0066 .0035 .0013 .0015 SiT2 .99016 .23313 .34155 .99 .0069 .0068 .0067 .0060 .0040 .0015 .0020 AsT2 .99016 .23313 .34155 .01 .0069 .0068 .0067 .0060 .0040 .0015 .0020 BeT3 .7950 .3404 .2365 .52 .0069 .0059 .0090 .0049 .0043 .0020 .0026 AlT3 .7950 .3404 .2365 .48 .0069 .0059 .0090 .0049 .0043 .0020 .0026 FeT5 .36557 .05528 .56726 .52 .00721 .0075 .0074 .0059 .0048 .0011 .0020 AlT5 .36557 .05528 .56726 .48 .00721 .0075 .0074 .0059 .0048 .0011 .0020 SiT6 .37304 .55842 .06359 .87 .0071 .0058 .0068 .0076 .0039 .0018 .0020 AsT6 .37304 .55842 .06359 .13 .0071 .0058 .0068 .0076 .0039 .0018 .0020 BeT1A -.4676 -.2339 -.3343 .0094 .009 .007 .008 .005 .000 -.001 BeT2A -.9712 -.2348 -.3445 .81 .0081 .0090 .0077 .0082 .0056 .0022 .0035 AlT2A -.9712 -.2348 -.3445 .19 .0081 .0090 .0077 .0082 .0056 .0022 .0035 SiT3A -.77682 -.34095 -.23952 .97 .0065 .0054 .0059 .0062 .0027 .0020 .0022 AsT3A -.77682 -.34095 -.23952 .03 .0065 .0054 .0059 .0062 .0027 .0020 .0022 SiT4A -.26661 -.33449 -.23107 .0066 .0063 .0066 .0052 .0039 .0008 .0013 SiT5A -.35996 -.06611 -.55804 .90 .0065 .0062 .0067 .0051 .0037 .0019 .0015 AsT5A -.35996 -.06611 -.55804 .10 .0065 .0062 .0067 .0051 .0037 .0019 .0015 O1 .3618 .0612 .1699 .0091 .011 .008 .0057 .0054 .0016 .0013 O2 .8612 .0605 .1731 .0095 .0110 .0065 .010 .0055 .0026 .0030 O3 .4636 .0339 .7300 .0102 .0066 .015 .0083 .0070 .0022 .0044 O4 .0301 .9339 .2757 .0101 .0089 .0096 .0119 .0061 .0017 .0047 O5 .2407 .8526 .3857 .0113 .0078 .014 .013 .0068 .0024 .0087 O6 .2580 .1417 .6367 .0100 .0082 .0109 .0082 .0045 .0034 .0041 O7 .5172 .2062 .4980 .0097 .0092 .0106 .0083 .0056 .0020 .0048 O8 .0439 .2141 .5085 .0081 .0111 .0097 .0058 .0079 .0026 .0030 O9 .9049 .3221 .3745 .0116 .0128 .0153 .0114 .0104 .0050 .0070 O10 .4069 .3331 .3630 .0092 .0079 .0091 .0097 .0048 .0027 .0043 O11 .6581 .1668 .0517 .0086 .0093 .0096 .0076 .0064 .0026 .0032 O12 .1638 .1696 .0586 .0087 .011 .0067 .007 .0054 .0035 .0013 O13 .5365 .7056 .0402 .0103 .0063 .013 .0110 .0050 .0040 .0061 O14 .0667 .7249 .0682 .0093 .0090 .0111 .0075 .0064 .0024 .0034 O15 .2569 .6081 .1191 .0091 .0067 .0081 .0114 .0047 .0024 .0028 O16 .2671 .3859 .8788 .0073 .0119 .0061 .0069 .0069 .0043 .0028 O17 .4164 .5003 .1979 .0101 .0068 .0070 .0134 .0021 .0033 .0057 O18 .9533 .5177 .2203 .0101 .013 .010 .0097 .0076 .0053 .0041 O19 .1691 .3623 .3216 .0089 .0088 .0083 .0080 .0051 .0039 .0014 O20 .6726 .3664 .3304 .0102 .0063 .0084 .0115 .0030 .0029 .0030 O1A -.3417 -.0605 -.1673 .0076 .012 .0056 .0062 .0068 .0026 .0011 O2A -.8352 -.0506 -.1703 .0075 .0093 .0074 .0045 .0061 -.0014 .0002 O3A -.4387 -.0444 -.7067 .0098 .0084 .0083 .0088 .0038 .0011 .0030 O4A -.0053 -.9366 -.2632 .0069 .0060 .0063 .0054 .0035 .0010 .0002 O5A -.2484 -.8808 -.3866 .0076 .0060 .0061 .0045 .0012 .0022 .0006 O6A -.2471 -.1215 -.6078 .0098 .0098 .0113 .0082 .0071 .0023 .0029 O7A -.4966 -.2005 -.4982 .0096 .0113 .0092 .0074 .0057 .0031 .0043 O8A -.0347 -.2186 -.5181 .0079 .0086 .0107 .0097 .0065 .0068 .0082 O9A -.8815 -.3205 -.3687 .0089 .0119 .0101 .0085 .0091 .0026 .0034 O10A -.3884 -.3307 -.3585 .0089 .0105 .0093 .0069 .0069 .0009 .0024 O11A -.6539 -.1761 -.0614 .0080 .0053 .0080 .0061 .0027 .0016 .0010 O12A -.1480 -.1676 -.0594 .0084 .0088 .0086 .0051 .0053 .0014 .0007 O13A -.5462 -.7333 -.0370 .0101 .010 .009 .011 .0056 .0037 .0052 O14A -.0660 -.7377 -.0643 .0085 .0074 .0088 .0093 .0052 .0025 .0036 O15A -.2401 -.6382 -.1385 .0100 .0092 .0066 .012 .0036 .0043 .0039 O16A -.2402 -.3891 -.8514 .0092 .0060 .011 .0087 .0058 -.0002 .0021 O17A -.3965 -.4984 -.1994 .0102 .0096 .0105 .0084 .0051 .0036 .0041 O18A -.9233 -.5077 -.2175 .0077 .0068 .0075 .0070 .0031 .0033 .0039 O19A -.1537 -.3627 -.3220 .0110 .0082 .0099 .0138 .0057 .0039 .0036 O20A -.6617 -.3690 -.3310 .0075 .0082 .0055 .0075 .0039 .0033 .0018