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 = 20 C
;
_database_code_amcsd 0006872
_chemical_formula_sum 'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cell_length_a 5.2173
_cell_length_b 9.0493
_cell_length_c 19.989
_cell_angle_alpha 90
_cell_angle_beta 95.734
_cell_angle_gamma 90
_cell_volume 939.017
_exptl_crystal_density_diffrn      2.732
_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   0.08700   0.25000   0.47500   0.02200
Na   0.00000   0.08700   0.25000   0.02500   0.02200
Al   0.24200   0.08340   0.00090   0.76000   0.00500
Mg   0.24200   0.08340   0.00090   0.10000   0.00500
Fe   0.24200   0.09340   0.00090   0.14000   0.00500
SiT1   0.46200   0.92500   0.13500   0.81000   0.01500
AlT1   0.46200   0.92500   0.13500   0.19000   0.01500
SiT2   0.45200   0.26000   0.13770   0.81000   0.00600
AlT2   0.45200   0.26000   0.13770   0.19000   0.00600
O1   0.45700   0.93980   0.05130   1.00000   0.01300
O2   0.39400   0.25360   0.05210   1.00000   0.01100
O3   0.45400   0.56200   0.05200   0.98000   0.01200
F3   0.45400   0.56200   0.05200   0.02000   0.01200
O4   0.42900   0.09550   0.16880   1.00000   0.01900
O5   0.23100   0.82050   0.15910   1.00000   0.02800
O6   0.24800   0.36440   0.16930   1.00000   0.01600
H1   0.35000   0.65600   0.05200   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 0.06100 0.04700 0.04300 0.04800 0.05300 0.03500