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(7)
;
_database_code_amcsd 0006605
_chemical_formula_sum 'Na.47 K.1 Mg3.06 Fe1.45 Al.99 Ti.33 Ca1.83 Mn.02 Si7.31 H1.958 O23.958 F.042'
_cell_length_a 9.870
_cell_length_b 18.046
_cell_length_c 5.318
_cell_angle_alpha 90
_cell_angle_beta 105.04
_cell_angle_gamma 90
_cell_volume 914.764
_exptl_crystal_density_diffrn      3.189
_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   0.09200   0.03838
KA   0.00000   0.50000   0.00000   0.02000   0.03838
NaAm   0.04080   0.50000   0.08750   0.09200   0.05319
KAm   0.04080   0.50000   0.08750   0.02000   0.05319
NaA2   0.00000   0.49100   0.00000   0.09200   0.03534
KA2   0.00000   0.49100   0.00000   0.02000   0.03534
MgM1   0.00000   0.08870   0.50000   0.71000   0.00760
FeM1   0.00000   0.08870   0.50000   0.29000   0.00760
MgM2   0.00000   0.17780   0.00000   0.50500   0.00684
AlM2   0.00000   0.17780   0.00000   0.12500   0.00684
TiM2   0.00000   0.17780   0.00000   0.16500   0.00684
FeM2   0.00000   0.17780   0.00000   0.20500   0.00684
MgM3   0.00000   0.00000   0.00000   0.63000   0.00684
AlM3   0.00000   0.00000   0.00000   0.05000   0.00684
FeM3   0.00000   0.00000   0.00000   0.32000   0.00684
NaM4   0.00000   0.28030   0.50000   0.00250   0.00937
CaM4   0.00000   0.28030   0.50000   0.45750   0.00937
MnM4   0.00000   0.28030   0.50000   0.00500   0.00937
FeM4   0.00000   0.28030   0.50000   0.03500   0.00937
NaM4*   0.00000   0.25800   0.50000   0.00250   0.00785
CaM4*   0.00000   0.25800   0.50000   0.45750   0.00785
MnM4*   0.00000   0.25800   0.50000   0.00500   0.00785
FeM4*   0.00000   0.25800   0.50000   0.03500   0.00785
AlT1   0.28070   0.08530   0.30110   0.06500   0.00595
SiT1   0.28070   0.08530   0.30110   0.93500   0.00595
AlT2   0.29070   0.17220   0.81140   0.10750   0.00633
SiT2   0.29070   0.17220   0.81140   0.89250   0.00633
H   0.20030   0.00000   0.76830   0.97900   0.01938
O1   0.10800   0.08860   0.21540   1.00000   0.00912
O2   0.11860   0.17380   0.73290   1.00000   0.00912
O3   0.10940   0.00000   0.71440   0.97900   0.01026
F3   0.10940   0.00000   0.71440   0.02100   0.01026
O4   0.36840   0.24980   0.79030   1.00000   0.01191
O5   0.34930   0.13890   0.11020   1.00000   0.01267
O6   0.34310   0.11740   0.60220   1.00000   0.01305
O7   0.33680   0.00000   0.28120   1.00000   0.01507