Wadsleyite II Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A, McCammon C A, Kawamoto T, van Aken P A Physics and Chemistry of Minerals 31 (2005) 691-705 Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 2 Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4 _database_code_amcsd 0008923 5.6896 29.104 8.243 90 90 90 Imma atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg1 .25 .25 .75 .852 .0100 .009 .010 .012 0 .0006 0 Fe2+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0 Fe3+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0 Mg2 .5 .19934 .4927 .0093 .012 .003 .013 0 0 .0004 Mg3 .5 .0998 .5279 .95 .0098 .0110 .0076 .0106 0 0 .0035 Fe2+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035 Fe3+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035 Mg4 .5 0 .5 .91 .012 .011 .010 .016 0 0 -.0022 Fe2+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022 Fe3+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022 Mg5 .25 .15017 .25 .854 .0116 .0107 .014 .0102 0 -.0006 0 Mg6 .25 .04883 .25 .961 .0065 .0091 .0082 .0021 0 -.0023 0 Si1 0 .25 .3779 .256 .0089 .010 .008 .0087 0 0 0 Si2 0 .15225 .6163 .425 .0020 .0044 .0004 .0012 0 0 -.0002 Si3 0 .04876 .6158 .514 .0100 .0072 .0110 .0119 0 0 -.0009 O1 0 -.0051 .2518 .5 .0133 .014 .015 .011 0 0 -.006 O2 0 .0998 .2263 .5 .0126 .0060 .020 .012 0 0 -.005 O3 0 .2029 .2636 .5 .0093 .012 .012 .004 0 0 -.004 O4 .241 .0512 .5056 .019 .033 .005 .018 .000 -.003 -.002 O5 .2426 .1517 .5032 .0024 .000 .000 .0063 .001 -.0024 .0001 O6 .2350 .25 .4948 .5 .0032 -.004 .012 .001 0 -.0032 0 O7 0 .0990 .7171 .5 .0118 .012 .011 .013 0 0 -.008 O8 0 .1962 .7429 .5 .0101 .010 .009 .011 0 0 .002