Mercallite Payan F, Haser R Acta Crystallographica B32 (1976) 1875-1879 On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a previous crystal structure determination Locality: synthetic _database_code_amcsd 0009570 8.429 9.807 18.976 90 90 90 Pbca atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) K1 .38272 .18063 .12506 .0051 .0045 .00101 -.0003 -.00001 .00020 K2 -.12272 .31966 .11831 .0052 .0033 .00093 .0000 .00000 -.00010 S1 .25447 .42281 .00267 .0027 .0024 .00084 -.0001 -.00001 .00002 S2 -.01931 .01693 .20599 .0029 .0038 .00085 .0000 -.00013 .00000 O11 .2916 .5801 .0017 .0038 .0025 .0015 .0000 -.0003 .0001 O12 .4080 .3523 .0033 .0035 .0025 .0016 .0004 .0001 .0001 O13 .1664 .3965 -.0610 .0076 .0055 .0014 -.0007 -.0017 -.0003 O14 .1658 .3986 .0665 .0071 .0057 .0014 -.0010 .0017 .0002 O21 .0604 -.0009 .2746 .0054 .0077 .0012 -.0012 -.0010 .0014 O22 -.1641 .1117 .2224 .0037 .0041 .0017 .0001 .0005 -.0004 O23 -.0815 -.1098 .1788 .0068 .0047 .0029 .0002 -.0007 -.0017 O24 .0767 .0942 .1577 .0054 .0085 .0011 -.0005 .0007 .0007 H1 .3790 .5920 .0010 3 H21 .2480 .0800 .2750 .5 3 H22 .1510 .1700 .2820 .5 3