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 = 20 C
;
_database_code_amcsd 0006485
_chemical_formula_sum 'Mg3.7 Al3 Ti.3 Si4 O19 H5'
_cell_length_a 12.2573
_cell_length_b 12.2573
_cell_length_c 4.9316
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 641.665
_exptl_crystal_density_diffrn      3.140
_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   0.42740   0.33870   0.00000   1.00000 ?
AlM12   0.35020   0.42070   0.49560   1.00000 ?
MgM2   0.00000   0.00000   0.19940   0.70000   0.01710
TiM2   0.00000   0.00000   0.19940   0.30000   0.01710
SiT1   0.66667   0.33333   0.78120   1.00000 ?
SiT2   0.30670   0.14820   0.47930   1.00000 ?
O1   0.27980   0.34310   0.17130   1.00000   0.00610
O2   0.38510   0.17670   0.19400   1.00000   0.00770
O3   0.35480   0.28260   0.63130   1.00000   0.00650
O4   0.15380   0.07340   0.43300   0.66667   0.01090
O-H4   0.15380   0.07340   0.43300   0.33333   0.01090
O-H5   0.47380   0.52260   0.81630   1.00000   0.00640
O6   0.39000   0.58140   0.38780   1.00000   0.00990
O-H7   0.33333   0.66667   0.94650   1.00000   0.02150
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 0.00550 0.00670 0.00780 0.00260 0.00120 -0.00040
AlM12 0.00700 0.00460 0.00560 0.00320 0.00110 0.00050
SiT1 0.00510 0.00510 0.00920 0.00250 0.00000 0.00000
SiT2 0.00970 0.00460 0.00660 0.00430 -0.00120 -0.00120