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 = 32 kbar
;
_database_code_amcsd 0006489
_chemical_formula_sum 'Mg3.89 Al2.88 Fe.08 Ti.2 Zr.28 Si3.67 P.33 O19 H5'
_cell_length_a 12.16
_cell_length_b 12.16
_cell_length_c 4.882
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 625.166
_exptl_crystal_density_diffrn      3.369
_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   0.42850   0.33790   0.00000   1.00000   0.00550
AlM12   0.35140   0.42080   0.49570   0.96000   0.00450
MgM12   0.35140   0.42080   0.49570   0.04000   0.00450
MgM2   0.00000   0.00000   0.19710   0.77000   0.01320
FeM2   0.00000   0.00000   0.19710   0.08000   0.01320
TiM2   0.00000   0.00000   0.19710   0.20000   0.01320
ZrM2   0.00000   0.00000   0.19710   0.28000   0.01320
SiT1   0.66667   0.33333   0.77010   0.67000   0.00260
PT1   0.66667   0.33333   0.77010   0.33000   0.00260
SiT2   0.30650   0.14760   0.47710   1.00000   0.00490
O1   0.28050   0.34100   0.17140   1.00000   0.00710
O2   0.38690   0.17690   0.19220   1.00000   0.00620
O3   0.35520   0.28270   0.63290   1.00000   0.00480
O4   0.15360   0.07270   0.42380   0.66667   0.01040
O-H4   0.15360   0.07270   0.42380   0.33333   0.01040
O-H5   0.47280   0.52200   0.81430   1.00000   0.00590
O6   0.39000   0.58070   0.37620   1.00000   0.00650
O-H7   0.33333   0.66667   0.93140   1.00000   0.02200