data_global
_chemical_name_mineral 'Hastingsite'
loop_
_publ_author_name
'Makino K'
'Tomita K'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1097
_journal_page_last 1105
_publ_section_title
;
 Cation distribution in the octahedral sites of hornblendes
 sample O-H from Obira, Japan
;
_database_code_amcsd 0001269
_chemical_formula_sum 'Si6.32 Al1.68 (Mg.55 Fe4.45) Ca2 Na3.96 O24 H2'
_cell_length_a 9.967
_cell_length_b 18.269
_cell_length_c 5.347
_cell_angle_alpha 90
_cell_angle_beta 104.97
_cell_angle_gamma 90
_cell_volume 940.576
_exptl_crystal_density_diffrn      3.679
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Si1   0.27740   0.08460   0.29580   0.58000   0.00570
Al1   0.27740   0.08460   0.29580   0.42000   0.00570
Si2   0.29150   0.17170   0.80890   1.00000   0.00659
Mg1   0.00000   0.09150   0.50000   0.06000   0.00671
Fe1   0.00000   0.09150   0.50000   0.94000   0.00671
Mg2   0.00000   0.17870   0.00000   0.15000   0.00469
Fe2   0.00000   0.17870   0.00000   0.85000   0.00469
Mg3   0.00000   0.00000   0.00000   0.13000   0.00481
Fe3   0.00000   0.00000   0.00000   0.87000   0.00481
Ca4   0.00000   0.28060   0.50000   1.00000   0.01153
NaAm   0.03650   0.50000   0.04720   0.99000   0.02204
NaA2   0.00000   0.47560   0.00000   0.99000   0.02444
O1   0.10480   0.08960   0.21160   1.00000   0.00697
O2   0.12270   0.17630   0.72970   1.00000   0.00963
O-H3   0.12350   0.00000   0.71400   1.00000   0.01444
O4   0.36610   0.24780   0.78930   1.00000   0.01317
O5   0.34420   0.13630   0.09910   1.00000   0.01330
O6   0.33970   0.11980   0.59200   1.00000   0.01203
O7   0.32990   0.00000   0.29280   1.00000   0.01393