Neptunite
Cannillo E, Mazzi F, Rossi G
Acta Crystallographica 21 (1966) 200-208
The crystal structure of neptunite
Locality: San Benito, California, USA
_database_code_amcsd 0018847
16.46 12.50 10.01 90 115.43 90 C2/c
atom      x     y     z occ Biso
Fe2+1 .3402 .3211 .0983  .5 1.52
Ti1   .3402 .3211 .0983  .5 1.52
Fe2+2 .0883 .0561 .1128  .5 1.52
Ti2   .0883 .0561 .1128  .5 1.52
Na    .2640 .1983 .3094     2.06
K         0 .4204   .25     1.72
Li       .5 .4353   .25     4.47
Si1   .1452 .4060 .0566       .8
Si2   .5233 .2280 .0855       .8
Si3   .7698 .4741 .1083       .8
Si4   .8942 .1491 .0816       .8
O1    .9538 .0446 .0688     1.44
O2    .4549 .3253 .0666     1.44
O3    .1099 .1673 .2664     1.44
O4    .3723 .4387 .2348     1.44
O5    .2050 .0796 .0888     1.44
O6    .7122 .3677 .0427     1.44
O7    .2088 .3077 .0707     1.44
O8    .8339 .4919 .0239     1.44
O9    .1592 .4505 .2148     1.44
O10   .3975 .2104 .2541     1.44
O11   .4613 .1173 .0239     1.44
O12   .9291 .2562 .0316     1.44