Fang J H, Robinson P D
American Mineralogist 55 (1970) 1534-1540
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The
crystal structure of coquimbite
10.922 10.922 17.084 90 90 120 P-31c
atom x y z occ Biso
Al 0 0 0 .9 1.07
Fe 0 0 0 .1 1.07
Fe1 .3333 .6667 .25 1.71
Fe2 .6667 .3333 .0025 2.19
S .2444 .4146 .1232 0.49
O1 .3187 .3451 .0909 1.42
O2 .1081 .3106 .1548 1.03
O3 .2197 .4946 .0597 1.21
O4 .3349 .5158 .1838 .74
Wat1 .1645 .0698 .0622 1.18
Wat2 .4485 .1153 .2101 1.71
Wat3 .5720 .1616 .0720 1.70
Majzlan J, Navrotsky A, McCleskey R B, Alpers C N
European Journal of Mineralogy 18 (2006) 175-186
Thermodynamic properties and crystal structure refinement of
ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5
Locality: synthetic
10.9153 10.9153 17.0770 90 90 120 P-31c
atom x y z occ Uiso
Fe1 0 0 0 .086 .0353
Al1 0 0 0 .914 .0353
Fe2 1/3 2/3 1/4 .0353
Fe3 2/3 1/3 .0033 .928 .0353
Al3 2/3 1/3 .0033 .072 .0353
S .2451 .4145 .1225 .0339
O1 .3191 .3452 .0918 .0401
O2 .1056 .3076 .1552 .0401
O3 .2235 .4942 .0587 .0401
O4 .3360 .5145 .1833 .0401
Wat5 .1653 .0702 .0635 .0401
Wat6 .4512 .1187 .2122 .0401
Wat7 .5698 .1613 .0737 .0401
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