data_global
_chemical_name_mineral 'Iowaite'
loop_
_publ_author_name
'Zhitova E S'
'Chukanov N V'
'Pekov I V'
'Zolotarev A A'
'Shilovskikh V V'
'Bocharov V N'
_journal_name_full 'Applied Clay Science'
_journal_volume 243 
_journal_year 2023
_journal_page_first 
_journal_page_last 107070
_publ_section_title
;
 Crystal chemistry of iowaite, Mg6FeIII2(OH)16Cl2 x 4H2O, a natural layered double hydroxide
;
_database_code_amcsd 0021230
_chemical_compound_source 'Talnakh, Russia'
_chemical_formula_sum '(Mg.75 Al.04 Fe.21) O2.504 H3.008 Cl.21'
_cell_length_a 3.1077
_cell_length_b 3.1077
_cell_length_c 23.885
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 199.772
_exptl_crystal_density_diffrn      2.034
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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   0.00000   0.75000   0.01920
Al   0.00000   0.00000   0.00000   0.04000   0.01920
Fe   0.00000   0.00000   0.00000   0.21000   0.01920
O1   0.33333   0.66667   0.04240   1.00000   0.01950
H1   0.33333   0.66667   0.08190   1.00000   0.02900
Wat2   0.14700   0.66667   0.16667   0.08400   0.08000
Cl2   0.14700   0.66667   0.16667   0.01400   0.08000
Cl   0.73400   0.26600   0.16700   0.02100   0.06000