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: III, T = 410 C
;
_database_code_amcsd 0006486
_chemical_formula_sum 'Mg3.7 Al3 Ti.3 Si4 O19 H5'
_cell_length_a 12.2851
_cell_length_b 12.2851
_cell_length_c 4.9505
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 647.049
_exptl_crystal_density_diffrn      3.114
_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   0.42710   0.33920   0.00000   1.00000 ?
AlM12   0.34840   0.42010   0.49540   1.00000 ?
MgM2   0.00000   0.00000   0.20340   0.70000   0.01780
TiM2   0.00000   0.00000   0.20340   0.30000   0.01780
SiT1   0.66667   0.33333   0.78470   1.00000 ?
SiT2   0.30680   0.14890   0.47940   1.00000 ?
O1   0.27940   0.34360   0.17120   1.00000   0.01280
O2   0.38360   0.17670   0.19410   1.00000   0.01430
O3   0.35430   0.28270   0.62950   1.00000   0.01280
O4   0.15390   0.07360   0.43490   0.66667   0.01960
O-H4   0.15390   0.07360   0.43490   0.33333   0.01960
O-H5   0.47370   0.52180   0.81530   1.00000   0.01300
O6   0.38910   0.58060   0.38950   1.00000   0.01640
O-H7   0.33333   0.66667   0.95070   1.00000   0.03770
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 0.01270 0.01660 0.00990 0.00720 0.00120 0.00040
AlM12 0.01570 0.01070 0.00860 0.00800 0.00080 0.00110
SiT1 0.01040 0.01040 0.01280 0.00520 0.00000 0.00000
SiT2 0.01600 0.01020 0.00790 0.00770 -0.00130 -0.00080