Bavenite Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T American Mineralogist 95 (2010) 519-526 Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals Locality: Ilimaussaq alkaline complex, South Greenland _database_code_amcsd 0005039 23.1965 4.9741 19.4221 90 90 90 Cmcm atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 .08223 .25504 .15368 .01166 .0130 .0167 .0053 -.0029 -.0004 .0007 Si1T1 0 .7747 .25 .0091 .0079 .0123 .0071 0 0 0 Be1T2 .1243 .8228 .25 .01079 .009 .017 .007 .001 0 0 BeT3 0 .7213 .10447 .5 .00593 .0053 .0102 .0023 0 0 .0003 AlT3 0 .7213 .10447 .25 .00593 .0053 .0102 .0023 0 0 .0003 SiT3 0 .7213 .10447 .25 .00593 .0053 .0102 .0023 0 0 .0003 SiT4 .09395 .5 0 .75 .01079 .0133 .0137 .0054 0 0 .0000 AlT4 .09395 .5 0 .25 .01079 .0133 .0137 .0054 0 0 .0000 Si3T5 .17045 0 0 .00943 .0092 .0146 .0045 0 0 -.0014 Si4T6 .21395 .8627 .14410 .0084 .0092 .0123 .0037 -.0002 .0003 .0002 O1 0 .5747 .18217 .00885 .0079 .0134 .0052 0 0 -.0010 O2 0 .0360 .10927 .01115 .0110 .0139 .0085 0 0 .0015 O3 .05783 .5960 .06927 .01223 .0120 .0162 .0085 .0016 .0030 -.0007 O4 .13132 .2378 .03387 .01215 .0132 .0163 .0070 .0016 .0008 -.0034 O5 .20858 .8728 .06086 .01121 .0123 .0163 .0051 .0000 -.0002 .0004 O6 .23302 .5612 .16604 .01084 .0117 .0130 .0079 -.0001 .0022 .0010 O7 .15420 .9410 .18013 .01063 .0124 .0136 .0058 .0013 .0026 .0019 O8 .12101 .4963 .25 .0099 .0094 .013 .0077 .0000 0 0 O9 .05790 .9578 .25 .00924 .0095 .0141 .0041 .0004 0 0 H1 .3413 .938 .25 .019 H2 0 .099 .069 .5 .028