data_global
_chemical_name_mineral 'Koenenite'
loop_
_publ_author_name
'Allmann R'
'Lohse H N'
'Hellner E'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 126 
_journal_year 1968
_journal_page_first 7
_journal_page_last 22
_publ_section_title
;
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite
;
_database_code_amcsd 0010654
_chemical_formula_sum '(Mg.636 Al.364) (O2 H2)'
_cell_length_a 3.052
_cell_length_b 3.052
_cell_length_c 10.880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 87.766
_exptl_crystal_density_diffrn      1.122
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-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
Mg   0.00000   0.00000   0.50000   0.63640   0.01267
Al   0.00000   0.00000   0.50000   0.36360   0.01267
O-H   0.66667   0.33333   0.40860   1.00000   0.02280