data_global _chemical_name_mineral 'Ellenbergerite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 5 _journal_year 1993 _journal_page_first 819 _journal_page_last 829 _publ_section_title ; Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 668 C ; _database_code_amcsd 0006487 _chemical_formula_sum 'Mg3.7 Al3 Ti.3 Si4 O19 H5' _cell_length_a 12.3184 _cell_length_b 12.3184 _cell_length_c 4.9674 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 652.782 _exptl_crystal_density_diffrn 3.086 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv MgM11 0.42700 0.33940 0.00000 1.00000 ? AlM12 0.34740 0.41980 0.49710 1.00000 ? MgM2 0.00000 0.00000 0.20440 0.70000 0.02650 TiM2 0.00000 0.00000 0.20440 0.30000 0.02650 SiT1 0.66667 0.33333 0.78670 1.00000 ? SiT2 0.30650 0.14910 0.48100 1.00000 ? O1 0.27870 0.34390 0.17260 1.00000 0.01740 O2 0.38290 0.17750 0.19630 1.00000 0.01850 O3 0.35350 0.28270 0.63320 1.00000 0.01720 O4 0.15400 0.07440 0.43610 0.66667 0.02530 O-H4 0.15400 0.07440 0.43610 0.33333 0.02530 O-H5 0.47360 0.52230 0.81860 1.00000 0.01870 O6 0.38870 0.58110 0.39260 1.00000 0.02010 O-H7 0.33333 0.66667 0.95410 1.00000 0.04650 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 MgM11 0.01490 0.01900 0.01840 0.00800 0.00090 -0.00100 AlM12 0.01930 0.01330 0.01480 0.00950 0.00260 0.00330 SiT1 0.01330 0.01330 0.01870 0.00660 0.00000 0.00000 SiT2 0.01780 0.01100 0.01420 0.00830 -0.00190 -0.00160