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 FP2  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
;
_database_code_amcsd 0005426
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Si5.88 Al3.058 Mg8.062 Fe2 Ca2.2 Na.8 O22 F2'
_cell_length_a 9.808
_cell_length_b 17.868
_cell_length_c 5.297
_cell_angle_alpha 90
_cell_angle_beta 105.30
_cell_angle_gamma 90
_cell_volume 895.395
_exptl_crystal_density_diffrn      3.901
_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   0.08560   0.30490   0.50000   0.00557
AlT1   0.28210   0.08560   0.30490   0.50000   0.00557
SiT2   0.29170   0.17360   0.81630   0.97000   0.00621
AlT2   0.29170   0.17360   0.81630   0.03000   0.00621
MgM1   0.00000   0.08970   0.50000   1.00000   0.00633
AlM2   0.00000   0.17540   0.00000   0.46900   0.00684
MgM2   0.00000   0.17540   0.00000   0.53100   0.00684
MgM3   0.00000   0.00000   0.00000   1.00000   0.00608
FeM4   0.00000   0.27970   0.50000   1.00000   0.00887
MgM4   0.00000   0.27970   0.50000   1.00000   0.00887
CaM4   0.00000   0.27970   0.50000   1.00000   0.00887
MgM4*   0.00000   0.25870   0.50000   1.00000   0.01482
NaA   0.00000   0.50000   0.00000   0.16000   0.04648
CaA   0.00000   0.50000   0.00000   0.04000   0.04648
NaA(m)   0.04320   0.50000   0.09580   0.16000   0.03407
CaA(m)   0.04320   0.50000   0.09580   0.04000   0.03407
NaA(2)   0.00000   0.47130   0.00000   0.16000   0.01684
CaA(2)   0.00000   0.47130   0.00000   0.04000   0.01684
O1   0.10640   0.08790   0.21550   1.00000   0.00899
O2   0.11830   0.17260   0.73770   1.00000   0.00874
F3   0.10440   0.00000   0.71200   1.00000   0.00925
O4   0.36780   0.25230   0.79040   1.00000   0.01153
O5   0.35360   0.14140   0.11680   1.00000   0.01203
O6   0.34560   0.11650   0.61340   1.00000   0.01241
O7   0.34420   0.00000   0.27620   1.00000   0.01305