data_global
_chemical_name_mineral 'Phengite'
loop_
_publ_author_name
'Smyth J R'
'Jacobsen S D'
'Swope R J'
'Angel R J'
'Arlt T'
'Domanik K'
'Holloway J R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 955
_journal_page_last 963
_publ_section_title
;
 Crystal structures and compressibilities of synthetic 2M_1 and 3T phengite micas
 Sample: synthetic 2M_1
;
_database_code_amcsd 0006844
_chemical_formula_sum 'K.964 Al1.368 Mg.73 Fe.038 Si3.808 O11.2 F.8 H1.2'
_cell_length_a 5.2046
_cell_length_b 9.0368
_cell_length_c 19.886
_cell_angle_alpha 90
_cell_angle_beta 95.615
_cell_angle_gamma 90
_cell_volume 930.809
_exptl_crystal_density_diffrn      2.833
_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   0.09360   0.25000   0.96400   0.03140
AlM2   0.24630   0.08152   0.00008   0.58800   0.01440
MgM2   0.24630   0.08152   0.00008   0.36500   0.01440
FeM2   0.24630   0.08152   0.00008   0.01900   0.01440
SiT1   0.46190   0.92804   0.13519   0.95200   0.01350
AlT1   0.46190   0.92804   0.13519   0.04800   0.01350
SiT2   0.45240   0.25805   0.13522   0.95200   0.01400
AlT2   0.45240   0.25805   0.13522   0.04800   0.01400
O1   0.46010   0.09310   0.16892   1.00000   0.01870
O2   0.22530   0.83490   0.16261   1.00000   0.01790
O3   0.22560   0.34780   0.16924   1.00000   0.01930
O4   0.45300   0.93490   0.05491   1.00000   0.01820
O5   0.40160   0.25130   0.05458   1.00000   0.01760
O-h6   0.45550   0.56610   0.05460   0.60000   0.02610
F6   0.45550   0.56610   0.05460   0.40000   0.02610
H   0.39500   0.63400   0.05800   0.60000   0.02300
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
K 0.03030 0.02710 0.03700 0.00000 0.00270 0.00000
AlM2 0.01670 0.01160 0.01460 0.00020 0.00040 0.00050
MgM2 0.01670 0.01160 0.01460 0.00020 0.00040 0.00050
FeM2 0.01670 0.01160 0.01460 0.00020 0.00040 0.00050
SiT1 0.01510 0.00930 0.01600 -0.00030 0.00090 0.00020
AlT1 0.01510 0.00930 0.01600 -0.00030 0.00090 0.00020
SiT2 0.01450 0.01210 0.01530 -0.00030 0.00090 0.00020
AlT2 0.01450 0.01210 0.01530 -0.00030 0.00090 0.00020
O1 0.02350 0.01240 0.02010 -0.00050 0.00170 0.00090
O2 0.01290 0.01980 0.02110 -0.00380 0.00210 -0.00040
O3 0.02090 0.02000 0.01670 0.00460 0.00070 -0.00110
O4 0.01830 0.01980 0.01660 -0.00200 0.00190 0.00020
O5 0.01840 0.01860 0.01520 -0.00030 -0.00150 0.00200
O-h6 0.03540 0.02050 0.02280 0.00670 0.00430 -0.00130
F6 0.03540 0.02050 0.02280 0.00670 0.00430 -0.00130