Baur W H
Acta Crystallographica 15 (1962) 815-826
Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
(leonhardtit) und FeSO4*4H2O (rozenit)
Locality: synthetic
5.922 13.604 7.905 90 90.85 90 P2_1/n
atom x y z Biso
Mg .0694 .1028 .2213 1.1
S .1957 .1068 .8259 .80
O1 .0058 .0461 .7595 1.3
O2 .2485 .0772 .0024 1.3
O3 .3983 .0911 .7227 1.3
O4 .1290 .2112 .8145 1.3
Ow1 .3555 .0748 .3591 1.8
Ow2 .7718 .1394 .0910 1.8
Ow3 .8907 .1273 .4405 1.8
Ow4 .1778 .2491 .2195 1.8
H1 .360 .070 .485 2.4
H2 .444 .017 .323 2.4
H3 .682 .198 .092 2.4
H4 .684 .098 .017 2.4
H5 .766 .171 .463 2.4
H6 .935 .096 .547 2.4
H7 .322 .242 .275 2.4
H8 .620 .190 .759 2.4
Acta Crystallographica 17 (1964) 863-869
On the crystal chemistry of salt hydrates.
II. A neutron diffraction study of MgSO4*4H2O
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg .0691 .1030 .2216 .0068 .0014 .0039 -.0004 .0016 .0001
S .1957 .1070 .8263 .0066 .0011 .0033 -.0002 -.0041 .0002
O1 .0074 .0460 .7601 .0097 .0013 .0060 -.0009 -.0063 .0003
O2 .2482 .0774 .0011 .0109 .002 .0042 .0010 -.0004 -.0002
O3 .3975 .0913 .7218 .0105 .0019 .0055 .0005 .0004 -.0013
O4 .1290 .2106 .8148 .0116 .0012 .0072 .0003 .0044 .0003
O5 .3583 .0740 .3589 .0131 .0022 .0065 .0016 -.0029 -.0002
O6 .7716 .1395 .0914 .0131 .0027 .0070 .0015 -.0041 -.0003
O7 .8914 .1282 .4412 .0190 .0028 .0063 .0029 .0023 -.0001
O8 .1752 .2482 .2222 .0098 .0017 .0096 .0001 .0010 -.0001
H1 .3726 .0851 .4797 .0242 .0032 .0109 .0042 -.0042 -.0012
H2 .4580 .0232 .3246 .0162 .0058 .0101 .0053 -.0019 -.0014
H3 .6802 .1904 .1417 .0214 .0075 .0177 .0043 -.0013 -.0021
H4 .6819 .0943 .0330 .0380 .0068 .0282 -.0100 -.0100 .0014
H5 .8018 .1855 .4560 .0228 .0039 .0129 -.0009 .0027 .0006
H6 .9207 .0980 .5533 .0255 .0057 .0083 .0008 -.0025 -.0009
H7 .3167 .2645 .2753 .0130 .0052 .0115 -.0002 -.0003 -.0028
H8 .5771 .1938 .7249 .0166 .0030 .0083 -.0009 .0032 -.0010
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