data_global
_chemical_name_mineral 'Phengite'
loop_
_publ_author_name
'Mookherjee M'
'Redfern S A T'
'Zhang M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 545
_journal_page_last 555
_publ_section_title
;
 Thermal response of structure and hydroxyl ion of phengite-2M_1:
 an in situ neutron diffraction and FTIR study
 Sample: T = 100 C
;
_database_code_amcsd 0006873
_chemical_formula_sum 'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cell_length_a 5.2196
_cell_length_b 9.0550
_cell_length_c 20.010
_cell_angle_alpha 90
_cell_angle_beta 95.746
_cell_angle_gamma 90
_cell_volume 940.990
_exptl_crystal_density_diffrn      2.726
_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
K   0.00000   0.09700   0.25000   0.47500   0.02400
Na   0.00000   0.09700   0.25000   0.02500   0.02400
Al   0.23600   0.08140  -0.00170   0.76000   0.01100
Mg   0.23600   0.08140  -0.00170   0.10000   0.01100
Fe   0.23600   0.08140  -0.00170   0.14000   0.01100
SiT1   0.45900   0.92100   0.13470   0.81000   0.02700
AlT1   0.45900   0.92100   0.13470   0.19000   0.02700
SiT2   0.45300   0.26100   0.13620   0.81000   0.00700
AlT2   0.45300   0.26100   0.13620   0.19000   0.00700
O1   0.45500   0.94250   0.05220   1.00000   0.01300
O2   0.39400   0.25590   0.05420   1.00000   0.00800
O3   0.45900   0.56100   0.05090   0.98000   0.01400
F3   0.45900   0.56100   0.05090   0.02000   0.01400
O4   0.43600   0.09570   0.16870   1.00000   0.01500
O5   0.23700   0.82090   0.15940   1.00000   0.02800
O6   0.24600   0.36010   0.17040   1.00000   0.01200
H1   0.34200   0.64700   0.05600   0.98000 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
H1 0.08100 0.04700 0.08600 0.04700 0.04400 0.00000