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 = 0.05 GPa
;
_database_code_amcsd 0008001
_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 5.134
_cell_length_b 8.906
_cell_length_c 19.32
_cell_angle_alpha 90
_cell_angle_beta 94.5
_cell_angle_gamma 90
_cell_volume 880.653
_exptl_crystal_density_diffrn      2.907
_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   0.95680   0.42880   0.14110   0.75250   0.00630
AlT1   0.95680   0.42880   0.14110   0.24750   0.00630
SiT2   0.44260   0.25780   0.13990   0.75250   0.00670
AlT2   0.44260   0.25780   0.13990   0.24750   0.00670
AlM2   0.24940   0.08310   0.00070   0.98500   0.00480
TiM2   0.24940   0.08310   0.00070   0.00350   0.00480
FeM2   0.24940   0.08310   0.00070   0.00500   0.00480
MnM2   0.24940   0.08310   0.00070   0.00100   0.00480
MgM2   0.24940   0.08310   0.00070   0.00300   0.00480
Na   0.00000   0.09400   0.25000   0.88000   0.03200
K   0.00000   0.09400   0.25000   0.10000   0.03200
Ca   0.00000   0.09400   0.25000   0.01000   0.03200
Ba   0.00000   0.09400   0.25000   0.01000   0.03200
O1   0.95900   0.44500   0.05600   1.00000   0.00400
O2   0.38200   0.25100   0.05500   1.00000   0.00700
O3   0.37500   0.09200   0.17400   1.00000   0.01500
O4   0.75100   0.29700   0.16400   1.00000   0.01300
O5   0.25000   0.38100   0.17400   1.00000   0.01300
O-H   0.95400   0.06400   0.05100   1.00000   0.00900