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 27 
_journal_year 2000
_journal_page_first 377
_journal_page_last 385
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample 2: T = 210 C
;
_database_code_amcsd 0008408
_chemical_formula_sum '(Na.91 K.07 Ca.01 Ba.01) Al3.07 Ti.005 Fe.01 Mn.001 Mg.02 Si2.92 O12 H2'
_cell_length_a 5.152
_cell_length_b 8.941
_cell_length_c 19.459
_cell_angle_alpha 90
_cell_angle_beta 94.26
_cell_angle_gamma 90
_cell_volume 893.884
_exptl_crystal_density_diffrn      2.865
_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
Na   0.00000   0.09540   0.25000   0.91000   0.05600
K   0.00000   0.09540   0.25000   0.07000   0.05600
Ca   0.00000   0.09540   0.25000   0.01000   0.05600
Ba   0.00000   0.09540   0.25000   0.01000   0.05600
AlM2   0.25000   0.08340   0.00007   0.99500   0.01560
TiM2   0.25000   0.08340   0.00007   0.00250   0.01560
FeM2   0.25000   0.08340   0.00007   0.00500   0.01560
MnM2   0.25000   0.08340   0.00007   0.00050   0.01560
MgM2   0.25000   0.08340   0.00007   0.01000   0.01560
AlT1   0.95140   0.42850   0.14010   0.27000   0.01750
SiT1   0.95140   0.42850   0.14010   0.73000   0.01750
AlT2   0.43840   0.25740   0.14010   0.27000   0.01750
SiT2   0.43840   0.25740   0.14010   0.73000   0.01750
O1   0.95700   0.44400   0.05520   1.00000   0.01720
O2   0.37870   0.25130   0.05540   1.00000   0.01830
O3   0.37660   0.09140   0.17320   1.00000   0.02310
O4   0.74470   0.29920   0.16210   1.00000   0.02610
O5   0.24440   0.37940   0.17370   1.00000   0.02320
O-h   0.95030   0.06260   0.05100   1.00000   0.02060
H   0.86100   0.13400   0.06200   1.00000   0.07000