Melanterite Baur W H Acta Crystallographica 17 (1964) 1167-1174 On the crystal chemistry of salt hydrates. III. The determination of the crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic _database_code_amcsd 0009289 14.072 6.503 11.041 90 105.57 90 P2_1/c atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Fe1 0 0 0 1.50 .0022 .0081 .0036 -.0003 .0010 -.0004 Fe2 .5 .5 0 1.50 .0020 .0105 .0028 -.0004 .0006 .0004 S .2267 .4709 .1763 1.40 .0018 .0084 .0032 -.0001 .0006 -.0005 O1 .2045 .4705 .0368 2.00 .0031 .0148 .0034 -.0015 .0011 .0002 O2 .1371 .5369 .2116 2.30 .0031 .0137 .0061 .0014 .0027 .0013 O3 .3075 .6157 .2267 2.50 .0029 .0150 .0055 -.0029 .0003 -.0033 O4 .2556 .2643 .2247 2.20 .0031 .0101 .0055 .0017 .0003 .0019 Ow1 .1129 .3853 .4322 3.70 .0065 .0238 .0076 .0073 .0052 .0042 Ow2 .1005 .9574 .1822 2.80 .0039 .0125 .0069 -.0001 .0002 .0019 Ow3 .0305 .7937 .4323 2.30 .0030 .0104 .0058 -.0010 .0005 .0013 Ow4 .4797 .4590 .1797 2.40 .0030 .0207 .0034 .0000 .0012 .0008 Ow5 .4313 .2850 .4418 2.70 .0042 .0168 .0049 .0031 .0011 .0005 Ow6 .3536 .8594 .4404 2.50 .0026 .0171 .0065 -.0009 .0007 -.0042 Ow7 .3637 .0048 .1142 2.70 .0041 .0112 .0069 .0002 .0009 -.0019 H1 .148 .259 .461 H2 .126 .428 .354 H3 .124 .817 .196 H4 .156 .051 .198 H5 .090 .870 .469 H6 .979 .887 .387 H7 .421 .514 .198 H8 .536 .475 .253 H9 .375 .275 .369 H10 .413 .359 .508 H11 .297 .910 .465 H12 .331 .776 .365 H13 .313 .077 .143 H14 .334 .894 .058