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(1)
;
_database_code_amcsd 0001600
_chemical_compound_source 'Sesia-Lanzo marble, Western Alps, Italy'
_chemical_formula_sum 'Na.67 K.36 Mg1.76 Fe2.94 Al1.88 Ti.04 Ca1.74 Si6.44 O25.16 Cl.56 F.26 H1.16'
_cell_length_a 9.884
_cell_length_b 18.143
_cell_length_c 5.332
_cell_angle_alpha 90
_cell_angle_beta 104.86
_cell_angle_gamma 90
_cell_volume 924.184
_exptl_crystal_density_diffrn      3.479
_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   0.15000   0.05801
KA   0.00000   0.50000   0.00000   0.12000   0.05801
NaAm   0.04120   0.50000   0.09450   0.08000   0.05902
KAm   0.04120   0.50000   0.09450   0.06000   0.05902
NaA2   0.00000   0.46140   0.00000   0.08000   0.03800
KA2   0.00000   0.46140   0.00000   0.06000   0.03800
Mg1   0.00000   0.09210   0.50000   0.35000   0.00874
Fe1   0.00000   0.09210   0.50000   0.65000   0.00874
Mg2   0.00000   0.17870   0.00000   0.38000   0.00760
Fe2   0.00000   0.17870   0.00000   0.44000   0.00760
Al2   0.00000   0.17870   0.00000   0.16000   0.00760
Ti2   0.00000   0.17870   0.00000   0.02000   0.00760
Mg3   0.00000   0.00000   0.00000   0.26000   0.00925
Fe3   0.00000   0.00000   0.00000   0.74000   0.00925
Ca4   0.00000   0.27960   0.50000   0.87000   0.01178
Na4   0.00000   0.27960   0.50000   0.10000   0.01178
Mg4   0.00000   0.27960   0.50000   0.02000   0.01178
Fe4   0.00000   0.27960   0.50000   0.01000   0.01178
Si1   0.27890   0.08540   0.29960   0.61000   0.00659
Al1   0.27890   0.08540   0.29960   0.39000   0.00659
Si2   0.29090   0.17290   0.81000   1.00000   0.00671
O1   0.10620   0.09030   0.21390   1.00000   0.01127
O2   0.12100   0.17540   0.73430   1.00000   0.01064
Cl3   0.10610   0.00000   0.70760   0.28000   0.01305
F3   0.10610   0.00000   0.70760   0.13000   0.01305
O-H3   0.10610   0.00000   0.70760   0.58000   0.01305
O3*   0.15960   0.00000   0.73320   1.00000   0.02077
O4   0.36790   0.24950   0.79440   1.00000   0.01140
O5   0.34840   0.13630   0.10070   1.00000   0.01216
O6   0.34260   0.12010   0.59780   1.00000   0.01292
O7   0.33590   0.00000   0.29110   1.00000   0.01545