data_global
_chemical_name_mineral 'Pargasite'
loop_
_publ_author_name
'Hawthorne F C'
'Oberti R'
'Ungaretti L'
'Grice J D'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 995
_journal_page_last 1002
_publ_section_title
;
 A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
 Pargas, Finland
 Sample: BMS
;
_database_code_amcsd 0001826
_chemical_formula_sum 'O22.46 F1.54 Si6.12 Al2.32 Mg4.32 Ti.04 Fe.2 Ca2.25 Na.75 K.65 H2'
_cell_length_a 9.889
_cell_length_b 17.978
_cell_length_c 5.298
_cell_angle_alpha 90
_cell_angle_beta 105.41
_cell_angle_gamma 90
_cell_volume 908.040
_exptl_crystal_density_diffrn      3.204
_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
O1   0.10640   0.08720   0.21790   1.00000   0.00937
O2   0.11930   0.17260   0.73230   1.00000   0.00887
O-h3   0.10560   0.00000   0.71430   0.23000   0.01001
F3   0.10560   0.00000   0.71430   0.77000   0.01001
O4   0.36600   0.25080   0.79160   1.00000   0.01140
O5   0.35030   0.13940   0.11210   1.00000   0.01267
O6   0.34530   0.11750   0.61100   1.00000   0.01267
O7   0.34110   0.00000   0.28710   1.00000   0.01570
Si1   0.27980   0.08550   0.30510   0.53000   0.00621
Al1   0.27980   0.08550   0.30510   0.47000   0.00621
Si2   0.29030   0.17330   0.81410   1.00000   0.00659
Mg1   0.00000   0.08920   0.50000   1.00000   0.00671
Mg2   0.00000   0.17560   0.00000   0.71000   0.00659
Al2   0.00000   0.17560   0.00000   0.18000   0.00659
Ti2   0.00000   0.17560   0.00000   0.02000   0.00659
Fe2   0.00000   0.17560   0.00000   0.09000   0.00659
Mg3   0.00000   0.00000   0.00000   0.90000   0.00709
Fe3   0.00000   0.00000   0.00000   0.02000   0.00709
Al3   0.00000   0.00000   0.00000   0.08000   0.00709
Ca4   0.00000   0.27960   0.50000   1.00000   0.00937
NaA   0.00000   0.50000   0.00000   0.15000   0.01153
KA   0.00000   0.50000   0.00000   0.13000   0.01153
CaA   0.00000   0.50000   0.00000   0.05000   0.01153
NaAm   0.03210   0.50000   0.06810   0.15000   0.03787
KAm   0.03210   0.50000   0.06810   0.13000   0.03787
CaAm   0.03210   0.50000   0.06810   0.05000   0.03787
NaA2   0.00000   0.47290   0.00000   0.15000   0.03508
KAm   0.00000   0.47290   0.00000   0.13000   0.03508
CaA2   0.00000   0.47290   0.00000   0.05000   0.03508
H   0.16880   0.00000   0.64020   1.00000   0.10005