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 = 15 K Locality: San Benito, California, USA _database_code_amcsd 0007530 16.436 12.436 9.966 90 115.63 90 Cc atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Na1 .2659 .1958 .3105 .009 .008 .006 .0004 .004 .0004 Na2 -.2608 -.1995 -.3017 .004 .005 .008 -.002 .003 -.002 K1 0 .4206 .25 .0043 .016 .006 .002 .002 .001 Li1 .5025 .4360 .255 .012 .011 .011 -.006 .007 -.004 Ti1 .3428 .3262 .1032 .002 .004 .0007 -.001 .0007 .002 Fe1 -.3368 -.3149 -.0946 .002 .002 .002 -.001 .0014 -.002 Ti2 .0900 .0500 .1175 .0038 Fe2 -.0870 -.0623 -.1107 .0031 .0030 .0037 -.0008 .0016 -.0027 Si1 .1465 .4082 .0599 .0029 .0021 .0032 -.0001 .0017 -.0001 Si1a -.1439 -.4058 -.0599 .0029 .0021 .0032 -.0001 .0017 -.0001 Si2 .5247 .2258 .0843 .0025 .0028 .0028 .0002 .0012 -.0003 Si2a -.5216 -.2280 -.0869 .0025 .0028 .0028 .0002 .0012 -.0003 Si3 .7702 .4720 .1074 .0025 .0028 .0020 -.0004 .0008 -.0002 Si3a -.7695 -.4745 -.1100 .0025 .0028 .0020 -.0004 .0008 -.0002 Si4 .8954 .1512 .0796 .0026 .0025 .0025 -.0001 .0015 .0003 Si4a -.8951 -.1494 -.0850 .0026 .0025 .0025 -.0001 .0015 .0003 O1 .9569 .0498 .0695 .0041 .0031 .0040 .0006 .0019 -.0001 O1a -.9508 -.0461 -.0739 .0041 .0031 .0040 .0006 .0019 -.0001 O2 .4559 .3243 .0712 .0046 .0027 .0047 .0011 .0024 .0004 O2a -.4561 -.3287 -.0685 .0046 .0027 .0047 .0011 .0024 .0004 O3 .1085 .1681 .2575 .0054 .0048 .0040 -.0007 .0027 -.0005 O3a -.1104 -.1700 -.2683 .0054 .0048 .0040 -.0007 .0027 -.0005 O4 .3705 .4306 .2223 .0057 .0041 .0055 .0005 .0034 -.0003 O4a -.3745 -.4482 -.2567 .0057 .0041 .0055 .0005 .0034 -.0003 O5 .2062 .0734 .0948 .0053 .0029 .0036 .0011 .0015 .0001 O5a -.2077 -.0787 -.0907 .0053 .0029 .0036 .0011 .0015 .0001 O6 .7119 .3626 .0391 .0039 .0028 .0044 -.0003 .0012 -.0004 O6a -.7092 -.3663 -.0520 .0039 .0028 .0044 -.0003 .0012 -.0004 O7 .2135 .3092 .0750 .0046 .0041 .0046 .0003 .0024 -.0003 O7a -.2051 -.3044 -.0678 .0046 .0041 .0046 .0003 .0024 -.0003 O8 .8317 .4915 .0184 .0052 .0032 .0048 -.0000 .0035 .0007 O8a -.8312 -.4882 -.0192 .0052 .0032 .0048 -.0000 .0035 .0007 O9 .1578 .4498 .2209 .0042 .0065 .0024 .0004 .0014 -.0005 O9a -.1587 -.4479 -.2238 .0042 .0065 .0024 .0004 .0014 -.0005 O10 .3962 .2124 .2498 .0041 .0039 .0034 -.0002 .0006 .0002 O10a -.3929 -.2094 -.2573 .0041 .0039 .0034 -.0002 .0006 .0002 O11 .4641 .1151 .0269 .0031 .0032 .0050 -.0009 .0017 -.0005 O11a -.4601 -.1185 -.0322 .0031 .0032 .0050 -.0009 .0017 -.0005 O12 .9286 .2606 .0256 .0052 .0032 .0048 -.0002 .0033 .0007 O12a -.9316 -.2576 -.0362 .0052 .0032 .0048 -.0002 .0033 .0007