data_global
_chemical_name_mineral 'Fluoro-pargasite'
loop_
_publ_author_name
'Oberti R'
'Sardone N'
'Hawthorne F C'
'Raudsepp M'
'Turnock A C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 25
_journal_page_last 31
_publ_section_title
;
 Synthesis and crystal-structure refinement of synthetic fluor-pargasite
 Sample: FP1  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
;
_database_code_amcsd 0005425
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Si6.012 Al2.762 Mg4.306 Ca2.12 Na.85 O22 F2'
_cell_length_a 9.820
_cell_length_b 17.896
_cell_length_c 5.294
_cell_angle_alpha 90
_cell_angle_beta 105.30
_cell_angle_gamma 90
_cell_volume 897.386
_exptl_crystal_density_diffrn      3.118
_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
SiT1   0.28210   0.08540   0.30430   0.52500   0.00557
AlT1   0.28210   0.08540   0.30430   0.47500   0.00557
SiT2   0.29130   0.17330   0.81470   0.97800   0.00608
AlT2   0.29130   0.17330   0.81470   0.02200   0.00608
MgM1   0.00000   0.08940   0.50000   1.00000   0.00646
AlM2   0.00000   0.17540   0.00000   0.38700   0.00633
MgM2   0.00000   0.17540   0.00000   0.61300   0.00633
MgM3   0.00000   0.00000   0.00000   1.00000   0.00595
CaM4   0.00000   0.27940   0.50000   0.48000   0.00937
MgM4   0.00000   0.27940   0.50000   0.02000   0.00937
CaM4*   0.00000   0.25360   0.50000   0.48000   0.01127
MgM4*   0.00000   0.25360   0.50000   0.02000   0.01127
NaA   0.00000   0.50000   0.00000   0.17000   0.05117
CaA   0.00000   0.50000   0.00000   0.04000   0.05117
NaA(m)   0.04010   0.50000   0.09440   0.17000   0.03610
CaA(m)   0.04010   0.50000   0.09440   0.04000   0.03610
NaA(2)   0.00000   0.47130   0.00000   0.17000   0.02533
CaA(2)   0.00000   0.47130   0.00000   0.04000   0.02533
O1   0.10690   0.08710   0.21670   1.00000   0.00899
O2   0.11850   0.17220   0.73570   1.00000   0.00874
F3   0.10440   0.00000   0.71230   1.00000   0.00975
O4   0.36700   0.25170   0.78980   1.00000   0.01127
O5   0.35270   0.14060   0.11460   1.00000   0.01203
O6   0.34600   0.11670   0.61120   1.00000   0.01241
O7   0.34460   0.00000   0.27710   1.00000   0.01279