data_global
_chemical_name_mineral 'Paragonite'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 24 
_journal_year 1997
_journal_page_first 274
_journal_page_last 280
_publ_section_title
;
 Pressure dependence of structural parameters of paragonite
 Sample: P = 2.54 GPa
;
_database_code_amcsd 0008002
_chemical_formula_sum 'Si3.01 Al2.96 Ti.007 Fe.01 Mn.002 Mg.006 (Na.88 K.1 Ca.01 Ba.01) O12 H2'
_cell_length_a 5.082
_cell_length_b 8.813
_cell_length_c 18.91
_cell_angle_alpha 90
_cell_angle_beta 94.7
_cell_angle_gamma 90
_cell_volume 844.087
_exptl_crystal_density_diffrn      3.033
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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   0.96130   0.42710   0.14300   0.75250   0.00400
AlT1   0.96130   0.42710   0.14300   0.24750   0.00400
SiT2   0.44900   0.25630   0.14120   0.75250   0.00700
AlT2   0.44900   0.25630   0.14120   0.24750   0.00700
AlM2   0.24760   0.08270   0.00110   0.98500   0.00500
TiM2   0.24760   0.08270   0.00110   0.00350   0.00500
FeM2   0.24760   0.08270   0.00110   0.00500   0.00500
MnM2   0.24760   0.08270   0.00110   0.00100   0.00500
MgM2   0.24760   0.08270   0.00110   0.00300   0.00500
Na   0.00000   0.09500   0.25000   0.88000   0.02100
K   0.00000   0.09500   0.25000   0.10000   0.02100
Ca   0.00000   0.09500   0.25000   0.01000   0.02100
Ba   0.00000   0.09500   0.25000   0.01000   0.02100
O1   0.95900   0.44000   0.05400   1.00000   0.00900
O2   0.38500   0.25200   0.05300   1.00000   0.00700
O3   0.37300   0.09200   0.17800   1.00000   0.01200
O4   0.76200   0.29000   0.16900   1.00000   0.00900
O5   0.26200   0.38400   0.17900   1.00000   0.01300
O-H   0.95500   0.06300   0.05200   1.00000   0.00300