Kidwellite Kolitsch U Mineralogical Magazine 68 (2004) 147-165 The crystal structures of kidwellite and 'laubmannite', two complex fibrous iron phosphates Locality: Clara mine, Black Forest, Germany _database_code_amcsd 0014570 20.117 5.185 13.978 90 107.07 90 P2/c atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Na 0 .1807 .75 .0496 .033 .088 .029 0 .012 0 Fe1 -.31930 -.2542 .19789 .0080 .0079 .0075 .0094 -.0004 .0037 .0000 Fe2 -.17514 -.2401 .18336 .0088 .0087 .0094 .0091 .0010 .0039 .0012 Fe3 -.43127 -.0041 .96833 .0151 .0151 .0154 .0150 .0016 .0050 -.0006 Fe4 -.19236 -.0145 .92828 .0131 .0125 .0140 .0136 .0007 .0048 -.0008 Fe5 0 0 0 .0145 .0124 .0155 .0153 -.0010 .0035 -.0018 P1 -.27367 .2432 .07103 .857 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001 As1 -.27367 .2432 .07103 .143 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001 P2 -.10006 -.7385 .29965 .936 .0095 .0096 .0094 .0097 .0005 .0033 .0010 As2 -.10006 -.7385 .29965 .064 .0095 .0096 .0094 .0097 .0005 .0033 .0010 P3 -.35088 -.2392 .81893 .969 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012 As3 -.35088 -.2392 .81893 .031 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012 CuM1 0 .5 0 .074 .018 CuM2 -.4316 .509 .9672 .067 .020 CuM3 -.1943 .515 .9266 .074 .016 O1 -.3506 .2407 .0091 .0150 .014 .014 .016 -.001 .005 .001 O2 -.2218 .2528 .0089 .0116 .011 .011 .014 .003 .005 .000 O3 -.2589 -.0084 .1372 .0114 .010 .010 .015 .004 .006 .007 O4 -.2575 -.5138 .1425 .0107 .007 .011 .015 .003 .004 .000 O5 -.1000 -.4805 .2456 .0178 .011 .022 .022 .004 .008 .011 O6 .0290 .2277 .1213 .0228 .014 .033 .020 -.001 .002 -.012 O7 -.1591 -.2668 .8489 .0129 .011 .014 .014 .001 .005 -.005 O8 -.1104 .0381 .2227 .0223 .020 .023 .029 -.007 .014 -.011 O9 -.2813 -.1897 .8954 .0226 .011 .029 .025 -.008 .000 -.002 O10 -.3550 -.4954 .2708 .0204 .019 .016 .030 .002 .014 .008 O11 -.4098 -.2232 .8678 .0142 .013 .021 .011 .002 .007 -.004 O12 -.3642 .0368 .2340 .0179 .018 .014 .021 .002 .007 -.009 OH13 -.3916 -.2733 .0697 .0111 .010 .014 .006 -.001 -.002 .001 OH14 -.1624 -.2658 .0485 .0112 .011 .012 .010 .000 .003 .002 OH15 -.2189 -.2410 .3053 .0107 .016 .010 .006 .001 .003 .000 OH16 -.4729 .1709 .0667 .0218 .017 .028 .026 -.001 .014 .002 Wat17 -.4767 .2842 .8614 .0250 .024 .026 .022 .000 .001 .010 OH18 -.0955 .1400 .9762 .0210 .014 .017 .030 .003 .004 .001 OH19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009 Wat19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009