data_global
_chemical_name_mineral 'Pargasite'
loop_
_publ_author_name
'Comodi P'
'Mellini M'
'Ungaretti L'
'Zanazzi P F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 3 
_journal_year 1991
_journal_page_first 485
_journal_page_last 499
_publ_section_title
;
 Compressibility and high pressure structure refinement
 of tremolite, pargasite and glaucophane
 Sample: pressure at 35 kbar
;
_database_code_amcsd 0006419
_chemical_formula_sum 'Na.74 K.02 Mg4.26 Fe.21 Al1.68 Cr.18 Ti.07 Ca.198 Si6.62 O24 H2'
_cell_length_a 9.733
_cell_length_b 17.828
_cell_length_c 5.240
_cell_angle_alpha 90
_cell_angle_beta 105.6
_cell_angle_gamma 90
_cell_volume 875.750
_exptl_crystal_density_diffrn      2.924
_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   0.74000   0.07600
KA   0.00000   0.50000   0.00000   0.02000   0.07600
MgM1   0.00000   0.08840   0.50000   0.94500   0.00760
FeM1   0.00000   0.08840   0.50000   0.05500   0.00760
MgM2   0.00000   0.17490   0.00000   0.72500   0.00810
AlM2   0.00000   0.17490   0.00000   0.15000   0.00810
CrM2   0.00000   0.17490   0.00000   0.09000   0.00810
TiM2   0.00000   0.17490   0.00000   0.03500   0.00810
MgM3   0.00000   0.00000   0.00000   0.92000   0.00720
FeM3   0.00000   0.00000   0.00000   0.08000   0.00720
CaM4   0.00000   0.27860   0.50000   0.09900   0.00750
FeM4   0.00000   0.27860   0.50000   0.01000   0.00750
SiT1   0.28130   0.08470   0.30580   0.65500   0.00540
AlT1   0.28130   0.08470   0.30580   0.34500   0.00540
SiT2   0.28590   0.17280   0.81130   1.00000   0.00490
O1   0.10680   0.08690   0.21700   1.00000   0.00810
O2   0.11250   0.17160   0.73140   1.00000   0.01390
O-H3   0.11240   0.00000   0.71630   1.00000   0.01200
O4   0.36890   0.25080   0.78600   1.00000   0.01040
O5   0.35440   0.14130   0.12040   1.00000   0.01290
O6   0.34610   0.11510   0.61600   1.00000   0.01370
O7   0.34870   0.00000   0.27960   1.00000   0.01220