American Mineralogist Crystal Structure Database

1 matching records for this search.

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
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Total number of retrieved datasets: 1
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