Paraershovite
Khomyakov A P, Camara F, Sokolova E, Abdu Y, Hawthorne F C
The Canadian Mineralogist 48 (2010) 279-290
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the
Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0006330
10.1978 12.0155 5.2263 103.439 96.020 91.683 P-1
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K(1)   .56870 .13502  .8203 .96  .0285  .0437  .0226  .0181 -.0025  .0014  .0041
K(2)       .5     .5     .5      .0339  .0355  .0427  .0279  .0247  .0082  .0125
Na(1)   .9757  .8611  .4609 .81  .0318   .024   .023   .045 -.0001 -.0027  .0043
Na(2)   .9901  .7410  .8855 .41   .031   .027   .035   .034   .009   .016   .011
Fe2+M  .00552 .42473 .70056 .87  .0118  .0085  .0140  .0119  .0019  .0001  .0012
Mn2+M  .00552 .42473 .70056 .68  .0118  .0085  .0140  .0119  .0019  .0001  .0012
TiM    .00552 .42473 .70056 .38  .0118  .0085  .0140  .0119  .0019  .0001  .0012
MgM    .00552 .42473 .70056 .07  .0118  .0085  .0140  .0119  .0019  .0001  .0012
Si(1)  .73752 .28343  .4291      .0122  .0103  .0144  .0118  .0014  .0021  .0024
Si(2)  .71648 .67365  .1360      .0133  .0099  .0152  .0148  .0032  .0017  .0033
Si(3)  .73373 .41941  .9938      .0116  .0088  .0137  .0117  .0014  .0017  .0016
Si(4)  .67806 .81252  .7010      .0172  .0191  .0167  .0157  .0035  .0034  .0027
O(1)    .6735  .3522  .6954      .0159   .009   .023   .015  .0022  .0024   .004
O(2)    .8952  .2965  .4822      .0166   .011   .021   .016  .0020  .0014  .0016
O(3)    .6525  .7284  .8982      .0241   .018   .034   .023   .005   .001   .013
O(4)    .8735  .6832  .1747      .0176   .010   .021   .022  .0018  .0008   .006
O(5)    .8919  .4392  .0176      .0134   .009   .021   .010 -.0005  .0011  .0021
O(6)    .8233  .8724  .7639      .0334   .019   .037   .039  -.003   .003  -.001
O(7)    .6602  .5397  .0558      .0193   .011   .017   .029  .0033  .0024   .003
O(8)    .6503  .7323  .4004      .0228   .018   .029   .018   .004   .004  -.001
O(9)    .6832  .3468  .1941      .0179   .012   .027   .014  .0015  .0006   .006
O(10)   .6773  .1541  .3523      .0202   .017   .019   .023  -.001   .003   .002
O(11)   .5653  .9052  .7303      .0238   .020   .019   .031   .003   .002   .002
O(12)   .8933  .5458  .5733      .0171   .015   .019   .017  .0053  .0033   .002
O(13)   .8581  .9925  .2831       .066   .057   .040   .083   .020  -.026  -.012
O(14A)   .889   .156   .904  .5   .051   .040   .058   .059   .005   .012   .018
O(14B)   .856   .113   .822  .5   .051   .040   .058   .059   .005   .012   .018
H(1)     .481   .875   .692     .03566
H(2)     .882   .603   .714     .02569
H(3)     .847   .953   .111     .09960
H(4)     .789   .038    .31     .09960
H(5)     .969   .179    .01  .5 .07653
H(6)      .86   .079    .91  .5 .07653
H(7)     .786    .13   .664  .5 .07653
H(8)     .799    .13    .98  .5 .07653