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 = 20 K _database_code_amcsd 0002662 4.7313 10.274 13.695 101.029 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 .0044 .0026 .0068 .0042 .0003 .0001 .0017 Fe(1)c .5 0 .5 .09 .0044 .0026 .0068 .0042 .0003 .0001 .0017 Mg(1)n .4966 .9457 .2747 .89 .0045 .0013 .0070 .0050 .0002 .0002 .0008 Fe(1)n .4966 .9457 .2747 .11 .0045 .0013 .0070 .0050 .0002 .0002 .0008 Mg(2)5 .0145 .1403 .1700 .92 .0046 .0024 .0065 .0054 .0001 .0007 .0024 Fe(2)5 .0145 .1403 .1700 .08 .0046 .0024 .0065 .0054 .0001 .0007 .0024 Mg(2)6 .5095 .2495 .3879 .93 .0044 .0021 .0060 .0052 .0002 .0004 .0013 Fe(2)6 .5095 .2495 .3879 .07 .0044 .0021 .0060 .0052 .0002 .0004 .0013 Mg(3) .4890 .8766 .0437 .65 .0035 .0025 .0031 .0062 .0027 .0007 .0039 Fe(3) .4890 .8766 .0437 .13 .0035 .0025 .0031 .0062 .0027 .0007 .0039 Ti(3) .4890 .8766 .0437 .227 .0035 .0025 .0031 .0062 .0027 .0007 .0039 Si1 .0736 .0670 .3900 .0046 .0025 .0064 .0055 .0001 .0005 .0024 Si2 .0751 .1765 .8351 .0043 .0011 .0070 .0048 .0004 .0005 .0009 O1,1 .7323 .0643 .3882 .0054 .0024 .0073 .0064 .0002 .0003 .0009 O1,2 .2806 .4202 .3880 .0053 .0043 .0056 .0065 .0006 .0001 .0023 O1,3 .2221 .1127 .2941 .0061 .0033 .0085 .0066 .0005 .0003 .0019 O1,4 .2212 .1588 .4866 .0055 .0036 .0072 .0054 .0005 .0004 .0005 O2,1 .2350 .3234 .1633 .0055 .0015 .0078 .0079 .0013 .0005 .0027 O2,2 .7768 .9688 .1633 .0057 .0030 .0072 .0072 .0000 .0000 .0019 O2,3 .7236 .2792 .2615 .0058 .0027 .0086 .0072 .0004 .0002 .0043 O2,4 .7253 .2286 .0690 .0063 .0045 .0066 .0075 .0001 .0011 .0007 O(H) .2563 .0450 .0534 .0107 .0095 .0121 .0103 .0005 .0034 .0011 H1 .083 .0126 .0114 .47 .0188 .0154 .0213 .0191 .0020 .0083 .0018