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 831
_journal_page_last 838
_publ_section_title
;
 Structural study of ellenbergerite. Part II: Effects of high pressure
 Sample: I, P = 4 kbar
;
_database_code_amcsd 0006488
_chemical_formula_sum 'Mg3.49 Al3 Fe.03 Ti.6 Zr.02 Si3.98 P.02 O19 H5'
_cell_length_a 12.24
_cell_length_b 12.24
_cell_length_c 4.925
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 638.998
_exptl_crystal_density_diffrn      3.219
_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   0.42760   0.33870   0.00000   1.00000   0.00640
AlM12   0.35060   0.42080   0.49460   1.00000   0.00540
MgM2   0.00000   0.00000   0.19910   0.49000   0.01410
FeM2   0.00000   0.00000   0.19910   0.03000   0.01410
TiM2   0.00000   0.00000   0.19910   0.60000   0.01410
ZrM2   0.00000   0.00000   0.19910   0.02000   0.01410
SiT1   0.66667   0.33333   0.77940   0.98000   0.00390
PT1   0.66667   0.33333   0.77940   0.02000   0.00390
SiT2   0.30690   0.14810   0.47710   1.00000   0.00620
O1   0.28010   0.34320   0.16980   1.00000   0.00580
O2   0.38600   0.17730   0.19130   1.00000   0.00870
O3   0.35590   0.28370   0.62850   1.00000   0.00670
O4   0.15310   0.07240   0.43030   0.66667   0.00930
O-H4   0.15310   0.07240   0.43030   0.33333   0.00930
O-H5   0.47330   0.52280   0.81380   1.00000   0.00330
O6   0.38860   0.58060   0.38610   1.00000   0.00830
O-H7   0.33333   0.66667   0.94630   1.00000   0.02700