Putnisite Elliott P, Giester G, Rowe R, Pring A Mineralogical Magazine 78 (2014) 131-144 Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia: description and crystal structure Locality: Polar Bear peninsula, Southern Lake Cowan, Western Australia, Australia _database_code_amcsd 0020044 15.351 20.421 18.270 90 90 90 Pnma atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Sr .26100 .25 .26070 .0177 .0220 .0160 .0150 0 -.0003 0 Ca(1) .89408 .59583 .10255 .0211 .0244 .0217 .0172 -.0005 -.0006 -.0009 Ca(2) .90849 .58505 .37485 .0213 .0222 .0252 .0164 -.0007 -.0015 -.0029 Cr(1) .74757 .32260 .04790 .0163 .0201 .0145 .0143 -.0025 .0003 .0001 Cr(2) .75157 .42178 .16020 .0138 .0158 .0131 .0124 -.0034 -.0003 .0010 Cr(3) .76176 .42059 .32013 .0131 .0139 .0125 .0131 -.0019 -.0001 -.0010 Cr(4) .76802 .32169 .43427 .0135 .0166 .0109 .0130 .0011 -.0010 -.0007 S .5192 .25 .31235 .0184 .0147 .0185 .022 0 -.0006 0 C(1) .8378 .25 -.0738 .024 .021 .022 .029 0 .000 0 C(2) .6597 .4509 .0222 .0239 .021 .021 .030 .006 .004 -.003 C(3) .8488 .5258 .2372 .0223 .014 .032 .021 .006 .004 .012 C(4) .6787 .4469 .4622 .0238 .019 .028 .025 -.006 -.003 -.002 C(5) .8611 .25 .5549 .023 .014 .021 .033 0 -.005 0 O(1) .5872 .25 .2561 .038 .030 .041 .041 0 .008 0 O(2) .4333 .25 .2769 .046 .025 .042 .071 0 -.005 0 O(3) .5291 .3093 .3598 .0492 .057 .050 .040 -.011 -.005 .007 O(4) .8793 .25 -.1295 .033 .034 .032 .034 0 .026 0 O(5) .8155 .3056 -.0415 .0253 .035 .020 .021 -.002 .004 .002 O(6) .6219 .4897 -.0205 .0266 .040 .026 .014 .002 -.005 -.003 O(7) .6773 .4682 .0883 .0240 .029 .026 .017 -.006 -.004 .003 O(8) .6778 .3917 -.0021 .0270 .025 .025 .031 -.010 -.003 .003 O(9) .8931 .5785 .2369 .0265 .032 .022 .025 .002 -.001 -.015 O(10) .8297 .4988 .3004 .0214 .031 .018 .015 .004 .000 -.004 O(11) .8224 .5008 .1751 .0232 .026 .027 .017 -.011 -.008 -.005 O(12) .6336 .4834 .5036 .0332 .054 .028 .017 -.006 .015 .013 O(13) .6977 .4668 .3977 .0226 .036 .020 .012 .000 -.001 .007 O(14) .6996 .3891 .4855 .0247 .026 .017 .031 .003 .000 -.002 O(15) .8985 .25 .6131 .038 .056 .027 .030 0 -.030 0 O(16) .8388 .3056 .5230 .0249 .033 .024 .018 .002 -.005 -.001 Oh(17) .8284 .3904 .0817 .0231 .027 .020 .023 .002 .000 -.002 Oh(18) .6897 .3384 .1419 .0199 .022 .024 .014 -.003 .003 -.005 Oh(19) .8104 .25 .0977 .0214 .013 .030 .022 0 -.010 0 Oh(20) .6659 .25 .0204 .0224 .019 .021 .027 0 -.009 0 Oh(21) .6767 .4470 .2438 .0222 .021 .026 .020 -.004 -.003 .006 Oh(22) .8176 .3744 .2374 .0203 .013 .023 .026 -.002 .000 .003 Oh(23) .7049 .3368 .3428 .0176 .017 .016 .019 .001 -.002 -.003 Oh(24) .8470 .3897 .3936 .0221 .019 .019 .029 .002 -.001 -.001 OH(25) .6881 .25 .4647 .0252 .032 .010 .034 0 .003 0 OH(26) .8310 .25 .3828 .0182 .022 .017 .016 0 .002 0 Wat(27) 1.0164 .5231 .1100 .064 .059 .092 .042 .024 .012 .041 Wat(28) .7474 .6292 .1353 .163 .111 .331 .048 .068 .028 .163 Wat(29) .9922 .6690 .1674 .184 .285 .229 .039 -.051 .050 -.236 OHw(30) .9950 .6446 .0086 .078 .041 .147 .046 .016 .000 -.020 Wat(31) 1.0020 .6632 .3171 .186 .319 .174 .064 .081 -.107 -.218 Wat(32) .7615 .6225 .3525 .187 .154 .332 .075 -.131 -.083 .201 Ow(33) 1.0104 .4971 .3501 .0467 .032 .061 .047 -.013 .000 .015 Wat(34) 1.0277 .5988 .4627 .0461 .053 .041 .044 -.009 -.018 -.010 Ow(35) .5137 .3277 .1247 .084 .037 .112 .103 -.011 -.008 .026 OHw(36) .4984 .4196 .2854 .0476 .049 .050 .044 .002 .008 -.001 Ow(37) 1.1438 .5776 .2407 .113 .053 .042 .243 .052 .056 .022 OHw(38) .7483 .75 .2451 .088 .090 .112 .061 0 .004 0 Wat(39) .8819 .7049 .3850 .5 .053 .084 .045 .029 .005 .017 .017 Wat(40) .8601 .7116 .1061 .5 .040 .055 .037 .029 -.006 -.022 -.003 H17 .856 .416 .049 .043 H18 .627 .342 .138 .043 H19 .866 .25 .117 .043 H20 .607 .25 .003 .043 H21 .621 .462 .252 .043 H22 .878 .373 .228 .043 H23 .646 .340 .356 .043 H24 .861 .402 .441 .043 H30 .992 .654 -.046 .043 H33a .968 .516 .380 .043 H33b 1.065 .493 .372 .043 H35a .508 .329 .072 .043 H35b .466 .350 .142 .043 H36 .495 .383 .315 .043 H37a 1.091 .583 .220 .043 H37b 1.188 .592 .210 .043 H38 .807 .75 .248 .043