Macphersonite Steele I M, Pluth J J, Livingstone A Mineralogical Magazine 62 (1998) 451-459 Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite Locality: Leadhills-Wanlockhead orefield, Scotland Note: space group changed from Pcab to Pbca _database_code_amcsd 0014534 9.242 23.050 10.383 90 90 90 Pbca atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pb1 .06550 .44671 .87282 .0166 .0111 .0179 .0208 .0006 -.0002 -.0002 Pb2 .39976 .54944 .88805 .0164 .0122 .0182 .0187 .0003 -.0005 .0009 Pb3 .13688 .83923 .91390 .0199 .0174 .0180 .0242 -.0027 -.0034 -.0011 Pb4 .53367 .66070 .65959 .0238 .0188 .0222 .0303 -.0030 .0024 .0027 S .2642 .7562 .6177 .0175 .011 .017 .025 -.001 -.002 -.001 OH1 .100 .3529 .916 .024 .014 .014 .044 .007 -.006 -.001 O2 .388 .5654 .6361 .016 .003 .026 .020 .001 .001 -.002 O3 .112 .4219 .6375 .019 .012 .037 .006 -.003 .001 .000 O4 .176 .9255 .739 .023 .009 .040 .020 .003 .002 -.004 OH5 .438 .6453 .870 .023 .020 .015 .033 .002 .004 .001 O6 .180 .5656 .741 .018 .011 .021 .022 .003 .004 .009 O7 -.187 .4233 .977 .022 .010 .031 .024 .003 -.005 -.001 O8 .734 .6948 .851 .030 .033 .023 .036 -.010 .002 -.009 O9 .416 .7648 .649 .037 .019 .033 .059 -.014 -.010 .011 O10 .682 .5632 .974 .017 .014 .017 .020 .001 .008 -.002 O11 .238 .7650 .478 .028 .035 .020 .028 .001 -.001 .001 O12 .172 .7949 .691 .045 .059 .052 .023 .026 -.006 -.012 C1 .248 .5648 .634 .011 .011 .001 .021 .000 .002 .000 C2 .251 .9237 .633 .014 .008 .014 .019 -.003 .003 .006