data_global
_chemical_name_mineral 'Phlogopite-1M'
loop_
_publ_author_name
'Schingaro E'
'Scordari F'
'Ventruti G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 1057
_journal_page_last 1069
_publ_section_title
;
 Trioctahedral micas-1M from Mt. Vulture (Italy): Structural
 disorder and crystal chemistry
 Sample: LC7N
;
_database_code_amcsd 0006917
_chemical_compound_source 'Mt. Vulture, Italy'
_chemical_formula_sum 'K.86 Na.05 Ba.045 Mg1.44 Fe1.12 Ti.23 Mn.01 Li.23 Si2.59 Al1.37 O11.82 F.18 H1.59'
_cell_length_a 5.346
_cell_length_b 9.258
_cell_length_c 10.208
_cell_angle_alpha 90
_cell_angle_beta 100.12
_cell_angle_gamma 90
_cell_volume 497.367
_exptl_crystal_density_diffrn      3.042
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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   0.00000   0.00000   0.86000   0.03740
Na   0.00000   0.00000   0.00000   0.05000   0.03740
Ba   0.00000   0.00000   0.00000   0.04500   0.03740
MgM2   0.00000   0.83580   0.50000   0.59500   0.01570
FeM2   0.00000   0.83580   0.50000   0.29000   0.01570
TiM2   0.00000   0.83580   0.50000   0.11500   0.01570
MnM1   0.00000   0.50000   0.50000   0.01000   0.01470
LiM1   0.00000   0.50000   0.50000   0.23000   0.01470
MgM1   0.00000   0.50000   0.50000   0.25000   0.01470
FeM1   0.00000   0.50000   0.50000   0.50000   0.01470
SiT   0.57460   0.16700   0.22490   0.64750   0.01560
AlT   0.57460   0.16700   0.22490   0.34250   0.01560
FeT   0.57460   0.16700   0.22490   0.01000   0.01560
O1   0.82620   0.22950   0.16720   1.00000   0.02740
O2   0.51520   0.00000   0.16880   1.00000   0.02460
O3   0.63070   0.16780   0.39110   1.00000   0.01760
O-H   0.13150   0.00000   0.39880   0.79500   0.01710
F   0.13150   0.00000   0.39880   0.09000   0.01710
O   0.13150   0.00000   0.39880   0.11500   0.01710
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 0.03700 0.03500 0.04200 0.00000 0.00900 0.00000
Na 0.03700 0.03500 0.04200 0.00000 0.00900 0.00000
Ba 0.03700 0.03500 0.04200 0.00000 0.00900 0.00000
MgM2 0.01190 0.01630 0.02060 0.00000 0.00360 0.00000
FeM2 0.01190 0.01630 0.02060 0.00000 0.00360 0.00000
TiM2 0.01190 0.01630 0.02060 0.00000 0.00360 0.00000
MnM1 0.01400 0.01120 0.02200 0.00000 0.00560 0.00000
LiM1 0.01400 0.01120 0.02200 0.00000 0.00560 0.00000
MgM1 0.01400 0.01120 0.02200 0.00000 0.00560 0.00000
FeM1 0.01400 0.01120 0.02200 0.00000 0.00560 0.00000
SiT 0.01380 0.01360 0.02100 -0.00060 0.00430 0.00010
AlT 0.01380 0.01360 0.02100 -0.00060 0.00430 0.00010
FeT 0.01380 0.01360 0.02100 -0.00060 0.00430 0.00010
O1 0.02300 0.02800 0.02500 -0.00600 0.00600 -0.00300
O2 0.03200 0.01800 0.02600 0.00000 0.00300 0.00000
O3 0.01800 0.01600 0.01900 -0.00100 0.00400 0.00000
O-H 0.01600 0.02000 0.01600 0.00000 0.00300 0.00000
F 0.01600 0.02000 0.01600 0.00000 0.00300 0.00000
O 0.01600 0.02000 0.01600 0.00000 0.00300 0.00000