data_global
_chemical_name_mineral 'Potassic-chlorohastingsite'
loop_
_publ_author_name
'Oberti R'
'Ungaretti L'
'Cannillo E'
'Hawthorne F C'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 746
_journal_page_last 752
_publ_section_title
;
 The mechanism of Cl incorporation in amphibole
 Sample: Cl(2)
;
_database_code_amcsd 0001601
_chemical_compound_source 'Sesia-Lanzo marble, Western Alps, Italy'
_chemical_formula_sum 'Na.5 K.54 Mg1.06 Fe3.58 Al2.18 Ti.02 Ca1.86 Si6.16 O24.88 (Cl.98 F.14 H.88)'
_cell_length_a 9.922
_cell_length_b 18.219
_cell_length_c 5.360
_cell_angle_alpha 90
_cell_angle_beta 104.81
_cell_angle_gamma 90
_cell_volume 936.733
_exptl_crystal_density_diffrn      3.552
_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
NaA   0.00000   0.50000   0.00000   0.12000   0.03483
KA   0.00000   0.50000   0.00000   0.18000   0.03483
NaAm   0.03440   0.50000   0.07070   0.06000   0.04281
KAm   0.03440   0.50000   0.07070   0.09000   0.04281
NaA2   0.00000   0.46450   0.00000   0.06000   0.05978
KA2   0.00000   0.46450   0.00000   0.09000   0.05978
Mg1   0.00000   0.09440   0.50000   0.18000   0.00925
Fe1   0.00000   0.09440   0.50000   0.82000   0.00925
Mg2   0.00000   0.17920   0.00000   0.31000   0.00747
Fe2   0.00000   0.17920   0.00000   0.51000   0.00747
Al2   0.00000   0.17920   0.00000   0.17000   0.00747
Ti2   0.00000   0.17920   0.00000   0.01000   0.00747
Mg3   0.00000   0.00000   0.00000   0.08000   0.00899
Fe3   0.00000   0.00000   0.00000   0.92000   0.00899
Ca4   0.00000   0.28060   0.50000   0.93000   0.01077
Na4   0.00000   0.28060   0.50000   0.07000   0.01077
Si1   0.27790   0.08610   0.30060   0.54000   0.00621
Al1   0.27790   0.08610   0.30060   0.46000   0.00621
Si2   0.29110   0.17350   0.81130   1.00000   0.00684
O1   0.10390   0.09150   0.21310   1.00000   0.01089
O2   0.12150   0.17770   0.73650   1.00000   0.01013
Cl3   0.10310   0.00000   0.70210   0.49000   0.01178
F3   0.10310   0.00000   0.70210   0.07000   0.01178
O-H3   0.10310   0.00000   0.70210   0.44000   0.01178
O3*   0.16110   0.00000   0.73370   1.00000   0.01545
O4   0.36900   0.24990   0.79470   1.00000   0.01165
O5   0.34740   0.13630   0.09850   1.00000   0.01127
O6   0.34230   0.12200   0.59770   1.00000   0.01279
O7   0.33380   0.00000   0.29770   1.00000   0.01684