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 = 293 K Locality: San Benito, California, USA _database_code_amcsd 0007532 16.427 12.478 9.975 90 115.56 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 .2669 .1965 .3140 .016 .0232 .019 -.0074 .0101 -.0070 Na2 -.2613 -.1992 -.3009 .014 .0214 .0156 -.0043 .0071 -.0051 K1 0 .42058 .25 .0111 .0366 .0171 .0005 .0051 .0010 Li1 .502 .4353 .256 .012 .017 .013 -.009 .009 -.008 Ti1 .3425 .32500 .1034 .0057 .0063 .0059 .0003 .0026 -.0001 Fe1 -.3376 -.31636 -.0961 .0070 .0100 .0081 .0031 .0034 .0012 Ti2 .0882 .05243 .1144 .0064 .0077 .0056 -.0008 .0034 -.0005 Fe2 -.0877 -.06111 -.1118 .0072 .0095 .0083 -.0001 .0038 -.0012 Si1 .1469 .40781 .0616 .0047 .0063 .0048 -.0007 .0018 -.0006 Sia -.1436 -.40499 -.0588 .0059 .0059 .0058 .0003 .0032 .0005 Si2 .5248 .2258 .0853 .0055 .0063 .0071 -.0004 .0036 -.0006 Si2a -.5214 -.22887 -.0852 .0047 .0054 .0048 -.0004 .0016 -.0004 Si3 .7706 .4729 .1096 .0061 .0067 .0054 .0002 .0031 .0009 Si3a -.7698 -.47541 -.1087 .0051 .0064 .0055 .00 .0021 .0002 Si4 .8954 .15005 .0797 .0053 .0066 .0056 -.0001 .0029 .0006 Si4a -.8942 -.14857 -.0836 .0070 .0049 .0057 .0008 .0035 -.00 O1 .9575 .0506 .0717 .0075 .0074 .0092 -.00 .0043 -.0006 O1a -.9494 -.0445 -.0717 .0075 .0074 .0092 -.00 .0042 -.0006 O2 .4553 .3241 .0719 .0072 .0070 .0090 .0014 .0043 .0007 O2a -.4563 -.3296 -.0668 .0072 .0070 .0090 .0014 .0043 .0007 O3 .1084 .1677 .2583 .0130 .0105 .0078 -.0022 .0064 -.0008 O3a -.1099 -.1695 -.2671 .0130 .0105 .0078 -.0008 .0064 -.0008 O4 .3708 .4303 .2240 .010 .010 .009 -.0012 .0047 -.0029 O4a -.3753 -.4493 -.2580 .013 .010 .011 .0009 .0070 -.0021 O5 .2058 .0740 .0961 .0079 .0084 .0090 .0018 .0045 .0009 O5a -.2090 -.0792 -.0901 .0079 .0084 .0090 .0018 .0045 .0009 O6 .7133 .3642 .0386 .0075 .0083 .0109 -.0001 .0028 -.0002 O6a -.7092 -.3676 -.0494 .0075 .0083 .0108 -.0001 .0028 -.0002 O7 .2138 .3098 .0777 .0077 .0074 .0089 .0012 .0042 -.0006 O7a -.2050 -.3031 -.0659 .0077 .0074 .0089 .0012 .0042 -.0006 O8 .8328 .4933 .0223 .0100 .0088 .0109 .0010 .0073 .0023 O8a -.8325 -.4893 -.0198 .0100 .0088 .0109 .0010 .0073 .0023 O9 .1586 .4514 .2226 .0099 .0129 .0057 .0001 .0029 -.0022 O9a -.1595 -.4477 -.2217 .0099 .0129 .0057 .0001 .0029 -.0022 O10 .3969 .2128 .2507 .0082 .0099 .0079 -.0005 .0013 .0013 O10a -.3940 -.2090 -.2567 .0082 .0099 .0079 -.0005 .0013 .0013 O11 .4643 .1161 .0258 .0060 .0083 .0110 -.0008 .0024 -.0013 O11a -.4597 -.1200 -.0275 .0060 .0083 .0110 -.0008 .0024 -.0013 O12 .9272 .2600 .0248 .0116 .0067 .0107 -.0004 .0075 .0010 O12a -.9305 -.2554 -.0338 .0116 .0067 .0107 -.0004 .0075 .0010