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 = 4.05 GPa
;
_database_code_amcsd 0008003
_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 5.062
_cell_length_b 8.769
_cell_length_c 18.64
_cell_angle_alpha 90
_cell_angle_beta 95.2
_cell_angle_gamma 90
_cell_volume 824.000
_exptl_crystal_density_diffrn      3.107
_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   0.96300   0.42690   0.14200   0.75250   0.00400
AlT1   0.96300   0.42690   0.14200   0.24750   0.00400
SiT2   0.45000   0.25660   0.14100   0.75250   0.00700
AlT2   0.45000   0.25660   0.14100   0.24750   0.00700
AlM2   0.25100   0.08290  -0.00040   0.98500   0.00300
TiM2   0.25100   0.08290  -0.00040   0.00350   0.00300
FeM2   0.25100   0.08290  -0.00040   0.00500   0.00300
MnM2   0.25100   0.08290  -0.00040   0.00100   0.00300
MgM2   0.25100   0.08290  -0.00040   0.00300   0.00300
Na   0.00000   0.09500   0.25000   0.88000   0.01700
K   0.00000   0.09500   0.25000   0.10000   0.01700
Ca   0.00000   0.09500   0.25000   0.01000   0.01700
Ba   0.00000   0.09500   0.25000   0.01000   0.01700
O1   0.96000   0.43900   0.05100   1.00000 ?
O2   0.38900   0.25100   0.05400   1.00000   0.00700
O3   0.37200   0.09000   0.17500   1.00000   0.00700
O4   0.76500   0.28700   0.17000   1.00000   0.00900
O5   0.26400   0.38500   0.17900   1.00000   0.01400
O-H   0.95300   0.06600   0.05500   1.00000   0.00700