data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Mesto E'
'Schingaro E'
'Scordari F'
'Ottolini L'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 182
_journal_page_last 190
_publ_section_title
;
 An electron microprobe analysis, secondary ion mass spectrometry and single
 crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
 Consideration of cation partioning
 Sample: LC7-3Go
 Note: mica
;
_database_code_amcsd 0004003
_chemical_compound_source 'Mt. Vulture, Potenza, Italy'
_chemical_formula_sum 'K.85 Na.11 Ba.02 Mg2.18 Fe.53 Ti.16 Al1.47 Si2.66 O11.88 F.12 H1.8'
_cell_length_a 5.315
_cell_length_b 9.209
_cell_length_c 10.226
_cell_angle_alpha 90
_cell_angle_beta 99.97
_cell_angle_gamma 90
_cell_volume 492.962
_exptl_crystal_density_diffrn      2.946
_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   0.85000   0.03200
Na   0.00000   0.00000   0.00000   0.11000   0.03200
Ba   0.00000   0.00000   0.00000   0.02000   0.03200
MgM1   0.00000   0.50000   0.50000   0.76000   0.01200
Fe2+M1   0.00000   0.50000   0.50000   0.16000   0.01200
Ti4+M1   0.00000   0.50000   0.50000   0.08000   0.01200
MgM2   0.00000   0.83380   0.50000   0.71000   0.01100
Fe2+M2   0.00000   0.83380   0.50000   0.18500   0.01100
AlM2   0.00000   0.83380   0.50000   0.06500   0.01100
TiM2   0.00000   0.83380   0.50000   0.04000   0.01100
SiT   0.57540   0.16690   0.22670   0.66500   0.00880
AlT   0.57540   0.16690   0.22670   0.33500   0.00880
O1   0.83180   0.22380   0.16990   1.00000   0.01600
O2   0.50500   0.00000   0.17010   1.00000   0.01600
O3   0.63110   0.16680   0.39230   1.00000   0.01000
O-H4   0.13100   0.00000   0.39740   0.90000   0.01000
F4   0.13100   0.00000   0.39740   0.06000   0.01000
O4   0.13100   0.00000   0.39740   0.04000   0.01000
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 0.03800 0.03500 0.02400 0.00000 0.00400 0.00000
Na 0.03800 0.03500 0.02400 0.00000 0.00400 0.00000
Ba 0.03800 0.03500 0.02400 0.00000 0.00400 0.00000
MgM1 0.01300 0.01100 0.01400 0.00000 0.00300 0.00000
Fe2+M1 0.01300 0.01100 0.01400 0.00000 0.00300 0.00000
Ti4+M1 0.01300 0.01100 0.01400 0.00000 0.00300 0.00000
MgM2 0.00900 0.01000 0.01300 0.00000 0.00210 0.00000
Fe2+M2 0.00900 0.01000 0.01300 0.00000 0.00210 0.00000
AlM2 0.00900 0.01000 0.01300 0.00000 0.00210 0.00000
TiM2 0.00900 0.01000 0.01300 0.00000 0.00210 0.00000
SiT 0.00800 0.00920 0.00920 0.00000 0.00110 0.00000
AlT 0.00800 0.00920 0.00920 0.00000 0.00110 0.00000
O1 0.01600 0.02200 0.01200 -0.00200 0.00300 -0.00300
O2 0.02800 0.01200 0.01300 0.00000 -0.00400 0.00000
O3 0.00800 0.01000 0.01400 0.00000 0.00100 -0.00100
O-H4 0.01500 0.00900 0.00700 0.00000 0.00200 0.00000
F4 0.01500 0.00900 0.00700 0.00000 0.00200 0.00000
O4 0.01500 0.00900 0.00700 0.00000 0.00200 0.00000