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 = 295 K _database_code_amcsd 0002660 4.7344 10.286 13.713 101.042 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 .89 .0077 .0063 .0105 .0067 .00006 .00042 .0026 Fe(1)c .5 0 .5 .11 .0077 .0063 .0105 .0067 .00006 .00042 .0026 Mg(1)n .4965 .9459 .27458 .89 .0080 .0040 .0119 .0078 .00017 .00093 .0008 Fe(1)n .4965 .9459 .27458 .11 .0080 .0040 .0119 .0078 .00017 .00093 .0008 Mg(2)5 .0137 .1399 .16997 .92 .0078 .0065 .0095 .0081 .00007 .00027 .0029 Fe(2)5 .0137 .1399 .16997 .08 .0078 .0065 .0095 .0081 .00007 .00027 .0029 Mg(2)6 .5103 .2504 .38774 .91 .0078 .0065 .0084 .0087 .00043 .00029 .0018 Fe(2)6 .5103 .2504 .38774 .09 .0078 .0065 .0084 .0087 .00043 .00029 .0018 Mg(3) .4894 .8763 .0436 .65 .0066 .0059 .0065 .0091 .0020 .0005 .0052 Fe(3) .4894 .8763 .0436 .12 .0066 .0059 .0065 .0091 .0020 .0005 .0052 Ti(3) .4894 .8763 .0436 .227 .0066 .0059 .0065 .0091 .0020 .0005 .0052 Si1 .0730 .0666 .3899 .0062 .0027 .0092 .0070 .0005 .0005 .0022 Si2 .0757 .1765 .8349 .0063 .0031 .0085 .0074 .0002 .0005 .0013 O1,1 .7332 .0644 .3883 .0082 .0051 .0108 .0087 .0002 .0002 .0015 O1,2 .2805 .4204 .38773 .0073 .0048 .0086 .0089 .0001 .0001 .0025 O1,3 .2220 .1129 .29424 .0080 .0048 .0115 .0086 .0000 .0007 .0039 O1,4 .2205 .1588 .48682 .0083 .0064 .0099 .0081 .0001 .0001 .0006 O2,1 .2355 .3233 .16345 .0078 .0037 .0109 .0092 .0004 .0004 .0028 O2,2 .7774 .9680 .16351 .0082 .0061 .0091 .0100 .0004 .0002 .0028 O2,3 .7234 .2792 .2614 .0087 .0061 .0113 .0097 .0002 .0002 .0045 O2,4 .7245 .2285 .0692 .0090 .0068 .0111 .0084 .0003 .0013 .0001 O(H) .2569 .0448 .0534 .0133 .0123 .0141 .0129 .0000 .0040 .0006 H .081 .0124 .0115 .46 .0207 .0166 .0235 .0209 .0038 .0064 .0004