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 = 650 C
;
_database_code_amcsd 0006882
_chemical_formula_sum 'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cell_length_a 5.2412
_cell_length_b 9.0983
_cell_length_c 20.242
_cell_angle_alpha 90
_cell_angle_beta 95.690
_cell_angle_gamma 90
_cell_volume 960.504
_exptl_crystal_density_diffrn      2.671
_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   0.09000   0.25000   0.47500   0.06300
Na   0.00000   0.09000   0.25000   0.02500   0.06300
Al   0.23500   0.08070  -0.00090   0.76000   0.02200
Mg   0.23500   0.08070  -0.00090   0.10000   0.02200
Fe   0.23500   0.08070  -0.00090   0.14000   0.02200
SiT1   0.45500   0.92100   0.13200   0.81000   0.03600
AlT1   0.45500   0.92100   0.13200   0.19000   0.03600
SiT2   0.45100   0.26500   0.13350   0.81000   0.01400
AlT2   0.45100   0.26500   0.13350   0.19000   0.01400
O1   0.46000   0.94430   0.05310   1.00000   0.03200
O2   0.39400   0.25710   0.05400   1.00000   0.02000
O3   0.45900   0.56100   0.04990   0.98000   0.03100
F3   0.45900   0.56100   0.04990   0.02000   0.03100
O4   0.45000   0.09790   0.16870   1.00000   0.03700
O5   0.22400   0.82820   0.15780   1.00000   0.03700
O6   0.23900   0.35370   0.17000   1.00000   0.03300
H1   0.34100   0.64200   0.05700   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 0.17700 0.03700 0.22000 0.06900 0.10300 0.01900