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 = 700 C
 Note: y-coordinate altered
;
_database_code_amcsd 0006883
_chemical_formula_sum 'K.475 Na.025 Al2.28 Mg.2 Fe.28 Si3.24 O11.96 F.04 H1.96'
_cell_length_a 5.2328
_cell_length_b 9.0948
_cell_length_c 20.207
_cell_angle_alpha 90
_cell_angle_beta 95.694
_cell_angle_gamma 90
_cell_volume 956.932
_exptl_crystal_density_diffrn      2.681
_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   0.08800   0.25000   0.47500   0.06400
Na   0.00000   0.08800   0.25000   0.02500   0.06400
Al   0.23400   0.07990  -0.00040   0.76000   0.02200
Mg   0.23400   0.07990  -0.00040   0.10000   0.02200
Fe   0.23400   0.07990  -0.00040   0.14000   0.02200
SiT1   0.45600   0.92200   0.13170   0.81000   0.04200
AlT1   0.45600   0.92200   0.13170   0.19000   0.04200
SiT2   0.44900   0.26400   0.13240   0.81000   0.01300
AlT2   0.44900   0.26400   0.13240   0.19000   0.01300
O1   0.46100   0.94460   0.05410   1.00000   0.03000
O2   0.39300   0.25650   0.05390   1.00000   0.02000
O3   0.45700   0.56090   0.04940   0.98000   0.02700
F3   0.45700   0.56090   0.04940   0.02000   0.02700
O4   0.45000   0.09830   0.16920   1.00000   0.03600
O5   0.22600   0.82660   0.15740   1.00000   0.03600
O6   0.23900   0.35490   0.17040   1.00000   0.03400
H1   0.34700   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 0.20000 0.02800 0.24000 0.06400 0.09900 0.01700