Neptunite Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J, Lottermoser W, Amthauer G Physics and Chemistry of Minerals 18 (1991) 199-213 Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 493 K Locality: San Benito, California, USA _database_code_amcsd 0007533 16.426 12.532 9.995 90 115.51 90 Cc atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Na1 .2658 .1956 .3146 .034 .044 .034 -.016 .017 -.015 Na2 -.2628 -.1983 -.3034 .026 .041 .032 -.008 .014 -.008 K1 0 .4188 .25 .0218 .072 .0301 .0 .0086 .0 Li1 .500 .4366 .260 .017 .023 .019 -.009 .011 -.007 Ti1 .3416 .3248 .1027 .0106 .0143 .0115 -.0003 .0039 -.0003 Fe1 -.3382 -.3160 -.0969 .0145 .0192 .0157 .0049 .0065 .0022 Ti2 .0875 .0524 .1143 .0121 .0157 .105 -.0004 .0046 -.0007 Fe2 -.0884 -.0613 -.1125 .0145 .0180 .0166 -.0006 .0078 -.0014 Si1 .1457 .4072 .0603 .009 .015 .010 -.0007 .0023 -.0007 Si1a -.1447 -.4046 -.0595 .013 .013 .012 -.0001 .0071 .0003 Si2 .5239 .2258 .0842 .011 .014 .012 .0002 .0053 -.0003 Si2a -.5219 -.2297 -.0856 .011 .011 .012 -.0003 .0032 -.0002 Si3 .7698 .4733 .1087 .011 .015 .012 .0001 .0044 .0010 Si3a -.7711 -.4764 -.1106 .012 .014 .011 .0005 .0041 .0008 Si4 .8944 .1490 .0786 .014 .013 .013 .0003 .006 .0008 Si4a -.8946 -.1479 -.0836 .012 .013 .011 .0001 .0048 -.0010 O1 .9581 .0508 .073 .013 .015 .016 -.0007 .0064 -.0018 O1a -.9488 -.0439 -.0697 .013 .015 .016 -.0007 .0064 -.0018 O2 .4539 .3239 .0709 .012 .016 .018 .0021 .0075 .0011 O2a -.4568 -.3295 -.0657 .012 .016 .018 .0021 .0075 .0011 O3 .1069 .1687 .2584 .025 .021 .015 -.001 .010 -.0007 O3a -.1104 -.1674 -.2686 .025 .021 .015 -.001 .010 -.0007 O4 .3697 .4294 .2213 .018 .019 .016 -.003 .007 -.004 O4a -.3758 -.4485 -.2583 .021 .022 .017 .0 .007 -.004 O5 .2042 .0734 .0953 .013 .017 .018 .002 .0071 .0015 O5a -.2098 -.0795 -.0914 .013 .017 .018 .002 .0071 .0015 O6 .7129 .3671 .0362 .013 .015 .022 -.007 .0042 -.0001 O6a -.7101 -.3682 -.0488 .013 .015 .022 -.0007 .0042 -.0001 O7 .2142 .3097 .0774 .014 .014 .016 .001 .006 -.0002 O7a -.2046 -.3037 -.0656 .014 .014 .016 .001 .006 -.0002 O8 .8342 .4939 .025 .020 .018 .020 -.0005 .0131 .0033 O8a -.8335 -.4910 -.0223 .020 .018 .020 -.0005 .0131 .0033 O9 .1593 .4511 .221 .019 .024 .0119 -.002 .0054 -.0041 O9a -.1606 -.4483 -.222 .019 .024 .0119 -.002 .0054 -.0041 O10 .3964 .2147 .2516 .017 .019 .016 -.001 .0029 .0007 O10a -.3957 -.2072 -.2559 .017 .019 .016 -.001 .0029 .0007 O11 .4633 .1188 .022 .014 .016 .020 -.0036 .0051 -.0024 O11a -.4600 -.1206 -.026 .014 .016 .020 -.0036 .0051 -.0024 O12 .9256 .2588 .0235 .021 .014 .021 -.001 .014 .0003 O12a -.9297 -.2534 -.0313 .021 .014 .021 -.001 .014 .0003