Macfallite
Moore P B, Shen J, Araki T
American Mineralogist 70 (1985) 171-181
Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
structures of ruizite, macfallite and orientite
Locality: Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA
_database_code_amcsd 0000966
10.235 6.086 8.970 90 110.75 90 P2_1/m
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1 0 0 0 .61 1.8 .0037 .0178 .0046 .0000 .0010 -.0001
Al 0 0 0 .39 1.8 .0037 .0178 .0046 .0000 .0010 -.0001
Mn2 .5 0 0 2.36 .0052 .0233 .0059 -.0002 .0017 .0004
Mn3 0 0 .5 2.29 .0053 .0212 .0061 -.0002 .0016 .0001
Ca1 .6817 .25 .7954 2.85 .0064 .0236 .0099 0 .0031 0
Ca2 .3128 .25 .6687 2.93 .0060 .0265 .0086 0 .0015 0
Si1 .8107 .25 .1905 1.79 .0031 .0205 .0040 0 .0010 0
O1 .6519 .25 .056 1.98 .0030 .0221 .0055 0 .0013 0
O2 .9045 .25 .0778 2.63 .0037 .0366 .0043 0 .0017 0
O3 .8387 .0332 .306 2.25 .0037 .0230 .0065 .0005 .0012 -.0009
Si2 .1956 .25 .2929 1.76 .0036 .0183 .0045 0 .0015 0
O4 .1234 .25 .4279 2.17 .0041 .0267 .0042 0 .0020 0
O5 .3648 .25 .3986 2.1 .0034 .0249 .0042 0 .0007 0
O6 .1635 .0285 .1858 2.21 .0044 .0229 .0057 .0000 .0016 -.0008
Si3 .5029 .25 .3377 1.82 .0042 .0186 .0044 0 .0019 0
O7 .6394 .25 .5073 1.99 .0026 .0220 .0060 0 .0011 0
O8 .501 .0219 .2426 2.09 .0049 .0206 .0054 -.0009 .0021 -.0009
OH9 .3795 .25 .9394 2.2 .0056 .0219 .0051 0 .0024 0
OH10 .9324 .25 .586 2.16 .0042 .0238 .0041 0 .0005 0
OH11 .0649 .25 .9036 2.56 .0047 .0302 .0036 0 -.0003 0
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Macfallite
Nagashima M, Rahmoun N S, Alekseev E V, Geiger C A, Armbruster T, Akasaka M
American Mineralogist 93 (2008) 1851-1857
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite
Locality: Manganese Lake, Copper Harbor, Keweenaw County, Michigan
_database_code_amcsd 0004767
8.959 6.072 10.218 90 110.75 90 P2_1/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 .1670 .25 .3134 .0095 .0076 .0116 .0084 0 .0018 0
Ca2 .2949 .25 .6813 .0096 .0119 .0105 .0081 0 .0057 0
MnMn1 .5 0 .5 .837 .0075 .0061 .0102 .0066 .0002 .0027 -.0002
AlMn1 .5 0 .5 .09 .0075 .0061 .0102 .0066 .0002 .0027 -.0002
MgMn1 .5 0 .5 .03 .0075 .0061 .0102 .0066 .0002 .0027 -.0002
CuMn1 .5 0 .5 .01 .0075 .0061 .0102 .0066 .0002 .0027 -.0002
VMn1 .5 0 .5 .003 .0075 .0061 .0102 .0066 .0002 .0027 -.0002
MnMn2 .5 0 0 .837 .0057 .0047 .0070 .0062 .0005 .0029 .0007
AlMn2 .5 0 0 .09 .0057 .0047 .0070 .0062 .0005 .0029 .0007
MgMn2 .5 0 0 .03 .0057 .0047 .0070 .0062 .0005 .0029 .0007
CuMn2 .5 0 0 .01 .0057 .0047 .0070 .0062 .0005 .0029 .0007
VMn2 .5 0 0 .003 .0057 .0047 .0070 .0062 .0005 .0029 .0007
MnMn3 0 .5 0 .837 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007
AlMn3 0 .5 0 .09 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007
MgMn3 0 .5 0 .03 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007
CuMn3 0 .5 0 .01 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007
VMn3 0 .5 0 .003 .0071 .0048 .0087 .0078 -.0005 .0022 -.0007
Si1 .3080 .75 .1891 .0087 .0056 .0113 .0098 0 .0035 0
Si2 .2074 .75 .8040 .0078 .0052 .0104 .0087 0 .0034 0
Si3 .1630 .75 .4982 .0071 .0081 .0074 .0069 0 .0040 0
O1 .2585 .5212 .4988 .0094 .0106 .009 .0106 .000 .0064 -.002
O2 .1937 .5340 .1622 .0106 .0087 .013 .0087 .001 .0010 -.001
O3 .3153 .5289 .8358 .0099 .0080 .012 .0080 .0020 .0011 .000
O4 .4213 .75 .0929 .0174 .006 .033 .013 0 .004 0
O5 .4444 .75 .3485 .0112 .007 .012 .014 0 .003 0
O6 .0866 .25 .9348 .0101 .011 .008 .014 0 .007 0
O7 .4395 .25 .3806 .0115 .006 .014 .015 0 .003 0
O8 .0726 .75 .8761 .0106 .007 .015 .013 0 .006 0
O9 .0999 .75 .6326 .0099 .008 .014 .009 0 .005 0
O10 -.0071 .75 .3610 .0120 .012 .021 .003 0 .004 0
O11 .3983 .25 .0631 .0168 .007 .025 .019 0 .006 0
H6 .2032 .25 .978 .05
H10 -.002 .75 .2666 .05
H11 .405 .25 .1609 .05
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