data_9005459
_chemical_name '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 mica
 Sample: synthetic 3T
;
_chemical_formula_sum 'K Al.998 Mg.5 Fe.026 Si3.808 O11.2 F.8 H1.2'
_cell_length_a 5.2110
_cell_length_b 5.2110
_cell_length_c 29.689
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 698.181
_symmetry_space_group_name_H-M 'P 31 1 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x+y,y,1/3-z'
  '-y,x-y,1/3+z'
  '-y,-x,2/3-z'
  '-x+y,-x,2/3+z'
  'x,x-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
K   0.12390   0.24770   0.16667   1.00000   0.03470
AlM2  -0.19750  -0.09875   0.00000   0.40300   0.01240
MgM2  -0.19750  -0.09875   0.00000   0.25000   0.01240
FeM2  -0.19750  -0.09875   0.00000   0.01300   0.01240
AlM3   0.45500   0.22750   0.00000   0.40300   0.01750
MgM3   0.45500   0.22750   0.00000   0.25000   0.01750
FeM3   0.45500   0.22750   0.00000   0.01300   0.01750
SiT1   0.79000   0.58150   0.09030   0.95200   0.01590
AlT1   0.79000   0.58150   0.09030   0.04800   0.01590
SiT2   0.47140   0.92210   0.09000   0.95200   0.01150
AlT2   0.47140   0.92210   0.09000   0.04800   0.01150
O1   0.75640   0.56980   0.03610   1.00000   0.01600
O2   0.49730   0.92670   0.03670   1.00000   0.01900
O3   0.64110   0.75680   0.11290   1.00000   0.02100
O4   0.12730   0.73500   0.10920   1.00000   0.01700
O5   0.61600   0.25200   0.11240   1.00000   0.02500
O-h6   0.13300   0.19800   0.03630   0.60000   0.02400
F6   0.13300   0.19800   0.03630   0.40000   0.02400
H   0.07600   0.28000   0.03900   0.60000   0.03000