data_global
_chemical_name_mineral 'Hematolite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 150
_journal_page_last 159
_publ_section_title
;
 Hematolite: A complex dense-packed sheet structure
;
_database_code_amcsd 0000610
_chemical_formula_sum 'Mn10.16 Al4.42 Fe.42 As3 O34 H23'
_cell_length_a 8.275
_cell_length_b 8.275
_cell_length_c 36.600
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2170.439
_exptl_crystal_density_diffrn      3.426
_symmetry_space_group_name_H-M 'R 3'
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'
  '-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
Mn1   0.00000   0.00000   0.00000   1.00000   0.02077
Mn2   0.66667   0.33333   0.21550   1.00000   0.02254
Mn3   0.31240   0.42430   0.07390   1.00000   0.02090
Mn4   0.41110   0.11160   0.14190   1.00000   0.02077
Al5   0.09350   0.47500   0.27470   0.84000   0.02368
Mn5   0.09350   0.47500   0.27470   0.16000   0.02368
Al6   0.25030   0.19510   0.27650   0.44000   0.01887
Mn6   0.25030   0.19510   0.27650   0.56000   0.01887
Al7   0.00000   0.00000   0.08090   0.58000   0.01849
Fe7   0.00000   0.00000   0.08090   0.42000   0.01849
As1   0.00000   0.00000   0.19490   1.00000   0.01722
As2   0.33333   0.66667   0.13950   1.00000   0.01748
As3   0.66667   0.33333   0.06080   1.00000   0.02014
O1   0.00000   0.00000   0.24220   1.00000   0.01570
O2   0.66667   0.33333   0.10760   1.00000   0.00899
O3   0.05900   0.21810   0.17920   1.00000   0.02343
O4   0.13900   0.49860   0.11340   1.00000   0.01811
O5   0.60030   0.11820   0.04490   1.00000   0.03876
O-H1   0.33333   0.66667   0.04540   1.00000   0.01532
O-H2   0.33333   0.66667   0.30070   1.00000   0.03052
O-H3   0.05960   0.21070   0.04680   1.00000   0.02242
O-H4   0.22520   0.17780   0.10950   1.00000   0.02001
O-H5   0.63160   0.11800   0.17330   1.00000   0.02330
O-H6   0.28550   0.43560   0.24740   1.00000   0.02875
O-H7   0.41710   0.12430   0.24340   1.00000   0.02495
O-H8   0.05380   0.24650   0.30370   1.00000   0.02280
O-H9   0.59560   0.06820   0.30880   1.00000   0.02786