Ellenbergerite Comodi P, Zanazzi P F European Journal of Mineralogy 5 (1993) 819-829 Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: I, T = 20 C _database_code_amcsd 0006484 12.2471 12.2471 4.9287 90 90 120 P6_3 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) MgM11 .4273 .3385 0 .0064 .0084 .0076 .0038 -.0002 -.0006 AlM12 .3503 .4209 .4957 .0085 .0057 .0072 .0041 -.0003 .0009 MgM2 0 0 .2044 .7 .0068 .0068 .0362 .0034 0 0 TiM2 0 0 .2044 .3 .0068 .0068 .0362 .0034 0 0 SiT1 2/3 1/3 .7834 .0049 .0049 .0078 .0024 0 0 SiT2 .3071 .1484 .4789 .0114 .0065 .0063 .0053 -.0005 -.0002 O1 .2797 .3433 .1714 .0067 .0111 .0070 .0042 -.0017 -.0012 O2 .3854 .1771 .1911 .0128 .0103 .0073 .0068 .0027 .0010 O3 .3558 .2834 .6314 .0115 .0070 .0079 .0051 -.0026 -.0010 O4 .1531 .0724 .4337 2/3 .0115 .0145 .0155 .0068 -.0043 -.0030 OH4 .1531 .0724 .4337 1/3 .0115 .0145 .0155 .0068 -.0043 -.0030 O5 .4742 .5219 .8110 .0087 .0093 .0104 .0049 .0035 -.0001 O6 .3892 .5807 .3858 .0081 .0093 .0188 .0061 -.0020 .0020 O7 1/3 2/3 .9512 .0374 .0374 .0060 .0187 0 0 H1 .449 .554 .930 .040 H2 1/3 2/3 .779 .005