data_global
_chemical_name_mineral 'Pargasite'
loop_
_publ_author_name
'Oberti R'
'Ungaretti L'
'Cannillo E'
'Hawthorne F C'
'Memmi I'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 1049
_journal_page_last 1063
_publ_section_title
;
 Temperature-dependent Al order-disorder in the
 tetrahedral double chain of C2/m amphiboles
 Sample: S(5)
;
_database_code_amcsd 0006603
_chemical_formula_sum 'Na.43 K.1 Fe1.55 Mg2.98 Al.86 Ti.21 Ca1.85 Mn.02 Si7.49 H1.958 O23.958 F.042'
_cell_length_a 9.869
_cell_length_b 18.058
_cell_length_c 5.320
_cell_angle_alpha 90
_cell_angle_beta 105.03
_cell_angle_gamma 90
_cell_volume 915.666
_exptl_crystal_density_diffrn      3.184
_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   0.07800   0.04483
KA   0.00000   0.50000   0.00000   0.02000   0.04483
NaAm   0.03620   0.50000   0.07190   0.07800   0.06193
KAm   0.03620   0.50000   0.07190   0.02000   0.06193
NaA2   0.00000   0.46700   0.00000   0.07800   0.02406
KA2   0.00000   0.46700   0.00000   0.02000   0.02406
FeM1   0.00000   0.08880   0.50000   0.31000   0.00722
MgM1   0.00000   0.08880   0.50000   0.69000   0.00722
AlM2   0.00000   0.17790   0.00000   0.15000   0.00659
TiM2   0.00000   0.17790   0.00000   0.10500   0.00659
FeM2   0.00000   0.17790   0.00000   0.24500   0.00659
MgM2   0.00000   0.17790   0.00000   0.50000   0.00659
AlM3   0.00000   0.00000   0.00000   0.05000   0.00646
FeM3   0.00000   0.00000   0.00000   0.35000   0.00646
MgM3   0.00000   0.00000   0.00000   0.60000   0.00646
CaM4   0.00000   0.27980   0.50000   0.46250   0.01051
NaM4   0.00000   0.27980   0.50000   0.01000   0.01051
MnM4   0.00000   0.27980   0.50000   0.00500   0.01051
FeM4   0.00000   0.27980   0.50000   0.02250   0.01051
CaM4*   0.00000   0.25410   0.50000   0.46250   0.00887
NaM4*   0.00000   0.25410   0.50000   0.01000   0.00887
MnM4*   0.00000   0.25410   0.50000   0.00500   0.00887
FeM4*   0.00000   0.25410   0.50000   0.02250   0.00887
SiT1   0.28060   0.08520   0.30070   0.94750   0.00557
AlT1   0.28060   0.08520   0.30070   0.05250   0.00557
SiT2   0.29060   0.17210   0.81110   0.92500   0.00608
AlT2   0.29060   0.17210   0.81110   0.07500   0.00608
H   0.19030   0.00000   0.76480   0.97900   0.03724
O1   0.10800   0.08880   0.21520   1.00000   0.00925
O2   0.11870   0.17380   0.73270   1.00000   0.00899
O3   0.10950   0.00000   0.71410   0.97900   0.01001
F3   0.10950   0.00000   0.71410   0.02100   0.01001
O4   0.36850   0.24960   0.79060   1.00000   0.01178
O5   0.34920   0.13860   0.10950   1.00000   0.01216
O6   0.34290   0.11770   0.60120   1.00000   0.01267
O7   0.33600   0.00000   0.28210   1.00000   0.01444