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(6)
 Note: O(5) y-coordinate changed to reproduce reported bond lengths
;
_database_code_amcsd 0006604
_chemical_formula_sum 'Na.45 K.1 Mg2.97 Fe1.57 Al.97 Ti.21 Ni.01 Zn.01 Ca1.84 Mn.02 Si7.4 H1.972 O23.972 F.028'
_cell_length_a 9.867
_cell_length_b 18.044
_cell_length_c 5.318
_cell_angle_alpha 90
_cell_angle_beta 105.06
_cell_angle_gamma 90
_cell_volume 914.298
_exptl_crystal_density_diffrn      3.198
_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   0.09000   0.07295
KA   0.00000   0.50000   0.00000   0.02000   0.07295
NaAm   0.03410   0.50000   0.06640   0.09000   0.05028
KAm   0.03410   0.50000   0.06640   0.02000   0.05028
NaA2   0.00000   0.46640   0.00000   0.09000   0.06447
KA2   0.00000   0.46640   0.00000   0.02000   0.06447
MgM1   0.00000   0.08890   0.50000   0.69000   0.00798
FeM1   0.00000   0.08890   0.50000   0.31000   0.00798
MgM2   0.00000   0.17790   0.00000   0.49000   0.00735
AlM2   0.00000   0.17790   0.00000   0.16000   0.00735
TiM2   0.00000   0.17790   0.00000   0.10500   0.00735
FeM2   0.00000   0.17790   0.00000   0.23500   0.00735
NiM2   0.00000   0.17790   0.00000   0.00500   0.00735
ZnM2   0.00000   0.17790   0.00000   0.00500   0.00735
MgM3   0.00000   0.00000   0.00000   0.61000   0.00697
AlM3   0.00000   0.00000   0.00000   0.05000   0.00697
FeM3   0.00000   0.00000   0.00000   0.34000   0.00697
CaM4   0.00000   0.27990   0.50000   0.46000   0.01140
MnM4   0.00000   0.27990   0.50000   0.00500   0.01140
FeM4   0.00000   0.27990   0.50000   0.03500   0.01140
CaM4*   0.00000   0.25260   0.50000   0.46000   0.00963
MnM4*   0.00000   0.25260   0.50000   0.00500   0.00963
FeM4*   0.00000   0.25260   0.50000   0.03500   0.00963
AlT1   0.28060   0.08530   0.30110   0.05000   0.00608
SiT1   0.28060   0.08530   0.30110   0.95000   0.00608
AlT2   0.29070   0.17210   0.81160   0.10000   0.00659
SiT2   0.29070   0.17210   0.81160   0.90000   0.00659
H   0.18970   0.00000   0.75110   0.98600   0.03179
O1   0.10790   0.08890   0.21470   1.00000   0.00975
O2   0.11860   0.17400   0.73300   1.00000   0.00925
O3   0.10930   0.00000   0.71430   0.98600   0.01026
F3   0.10930   0.00000   0.71430   0.01400   0.01026
O4   0.36870   0.24970   0.79050   1.00000   0.01229
O5   0.34920   0.13860   0.11040   1.00000   0.01267
O6   0.34280   0.11760   0.60170   1.00000   0.01305
O7   0.33580   0.00000   0.28190   1.00000   0.01520