Vanthoffite
Balic-Zunic T, Pamato M G, Nestola F
Acta Crystallographica E76 (2020) 785-789
Redetermination and new description of the crystal structure of vanthoffite, Na6Mg(SO4)4
Locality: Surtsey, Iceland
_database_code_amcsd 0021237
9.7761 9.1998 8.2040 90 113.518 90 P2_1/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .31120 .01426 .46772  .0173  .0195  .0154  .0181 -.0002  .0088  .0005
Na2  .44443 .15141 .09037  .0262  .0266  .0187  .0259 -.0064  .0026 -.0002
Na3  .88822 .13860 .31627  .0231  .0257  .0206  .0305  .0040  .0190  .0039
Mg1       0      0      0  .0097  .0096  .0090  .0101  .0002  .0034 -.0002
S1   .14002 .30539 .22425 .01023  .0103  .0099  .0103 -.0010  .0039 -.0008
S2   .66143 .35283 .34685 .01116  .0109  .0099  .0126  .0001  .0046  .0006
O1   .03029 .18470  .1553  .0153  .0156  .0149  .0167 -.0076  .0077 -.0072
O2   .13531 .39708  .0752  .0169  .0222  .0155  .0159  .0009  .0105  .0041
O3    .0954 .39427  .3441  .0197  .0267  .0184  .0189 -.0037  .0145 -.0073
O4   .28894 .24382  .3187  .0198  .0118  .0182  .0251  .0011  .0028  .0031
O5   .66765 .19352  .3593  .0175  .0223  .0111  .0195  .0010  .0088  .0027
O6    .6464  .4160  .5023  .0208  .0270  .0198  .0219 -.0028  .0165 -.0052
O7   .80007 .40614  .3324  .0154  .0095  .0208  .0144 -.0026  .0031  .0005
O8   .53693 .39792  .1825  .0190  .0113  .0231  .0174  .0007  .0003  .0061