Hydroxylclinohumite Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J American Mineralogist 86 (2001) 981-989 Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Val Malenco, Italy at T = 100 K _database_code_amcsd 0002661 4.7282 10.273 13.702 101.004 90 90 P2_1/b atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg(1)c .5 0 .5 .91 .0047 .0024 .0073 .0046 .0010 .0009 .0015 Fe(1)c .5 0 .5 .09 .0047 .0024 .0073 .0046 .0010 .0009 .0015 Mg(1)n .4961 .9458 .2747 .89 .0053 .0036 .0081 .0044 .0000 .0001 .0013 Fe(1)n .4961 .9458 .2747 .11 .0053 .0036 .0081 .0044 .0000 .0001 .0013 Mg(2)5 .0139 .1400 .1699 .92 .0052 .0039 .0064 .0055 .0001 .0002 .0015 Fe(2)5 .0139 .1400 .1699 .08 .0052 .0039 .0064 .0055 .0001 .0002 .0015 Mg(2)6 .5097 .2501 .3880 .91 .0055 .0028 .0075 .0060 .0008 .0002 .0010 Fe(2)6 .5097 .2501 .3880 .09 .0055 .0028 .0075 .0060 .0008 .0002 .0010 Mg(3) .4890 .8766 .0436 .65 .0040 .0048 .0025 .0053 .0013 .0007 .0019 Fe(3) .4890 .8766 .0436 .13 .0040 .0048 .0025 .0053 .0013 .0007 .0019 Ti(3) .4890 .8766 .0436 .227 .0040 .0048 .0025 .0053 .0013 .0007 .0019 Si1 .0736 .0673 .3900 .0049 .0026 .0070 .0052 .0008 .0000 .0013 Si2 .0760 .1764 .8351 .0048 .0027 .0070 .0044 .0003 .0001 .0002 O1,1 .7322 .0645 .3882 .0057 .0027 .0090 .0053 .0002 .0000 .0015 O1,2 .2801 .4203 .3879 .0063 .0048 .0069 .0075 .0004 .0010 .0020 O1,3 .2224 .1126 .2941 .0061 .0041 .0088 .0055 .0003 .0007 .0016 O1,4 .2212 .1585 .4866 .0060 .0032 .0085 .0060 .0009 .0003 .0005 O2,1 .2352 .3237 .1634 .0064 .0031 .0093 .0068 .0005 .0003 .0017 O2,2 .7769 .9683 .1632 .0061 .0043 .0081 .0063 .0000 .0002 .0020 O2,3 .7233 .2791 .2616 .0064 .0034 .0096 .0070 .0001 .0002 .0036 O2,4 .7256 .2281 .0691 .0068 .0056 .0079 .0068 .0001 .0018 .0005 O(H) .2562 .0450 .0534 .0108 .0102 .0115 .0098 .0005 .0032 .0005 H .082 .0114 .0110 .48 .0196 .0125 .0204 .0239 .0037 .0055 .0018