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