data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Brigatti M F'
'Caprilli E'
'Funiciello R'
'Giordano G'
'Mottana A'
'Poppi L'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 17 
_journal_year 2005
_journal_page_first 611
_journal_page_last 621
_publ_section_title
;
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: 5D
;
_database_code_amcsd 0007121
_chemical_compound_source 'Colli Albani volcano, central Italy'
_chemical_formula_sum 'Ba.008 K.988 Al1.403 Ti.165 Fe.573 Mg1.827 Mn.006 Si2.912 O12'
_cell_length_a 5.318
_cell_length_b 9.205
_cell_length_c 10.230
_cell_angle_alpha 90
_cell_angle_beta 100.02
_cell_angle_gamma 90
_cell_volume 493.143
_exptl_crystal_density_diffrn      2.936
_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
BaA   0.00000   0.50000   0.00000   0.00800   0.02976
KA   0.00000   0.50000   0.00000   0.98800   0.02976
AlM1   0.00000   0.00000   0.50000   0.10500   0.01039
TiM1   0.00000   0.00000   0.50000   0.05500   0.01039
Fe2+M1   0.00000   0.00000   0.50000   0.19100   0.01039
MgM1   0.00000   0.00000   0.50000   0.60900   0.01039
MnM1   0.00000   0.00000   0.50000   0.00200   0.01039
AlM2   0.00000   0.33480   0.50000   0.10500   0.01026
TiM2   0.00000   0.33480   0.50000   0.05500   0.01026
Fe2+M2   0.00000   0.33480   0.50000   0.19100   0.01026
MgM2   0.00000   0.33480   0.50000   0.60900   0.01026
MnM2   0.00000   0.33480   0.50000   0.00200   0.01026
SiT   0.07540   0.16700   0.22680   0.72800   0.00823
AlT   0.07540   0.16700   0.22680   0.27200   0.00823
O1   0.00600   0.00000   0.17050   1.00000   0.01722
O2   0.33120   0.22480   0.17000   1.00000   0.01786
O3   0.13110   0.16710   0.39190   1.00000   0.01102
O4   0.13130   0.50000   0.39870   1.00000   0.01089
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
BaA 0.03098 0.03005 0.02571 0.00000 0.00454 0.00000
KA 0.03098 0.03005 0.02571 0.00000 0.00454 0.00000
AlM1 0.00834 0.00773 0.01594 0.00000 0.00374 0.00000
TiM1 0.00834 0.00773 0.01594 0.00000 0.00374 0.00000
Fe2+M1 0.00834 0.00773 0.01594 0.00000 0.00374 0.00000
MgM1 0.00834 0.00773 0.01594 0.00000 0.00374 0.00000
MnM1 0.00834 0.00773 0.01594 0.00000 0.00374 0.00000
AlM2 0.00736 0.01073 0.01234 0.00000 0.00107 0.00000
TiM2 0.00736 0.01073 0.01234 0.00000 0.00107 0.00000
Fe2+M2 0.00736 0.01073 0.01234 0.00000 0.00107 0.00000
MgM2 0.00736 0.01073 0.01234 0.00000 0.00107 0.00000
MnM2 0.00736 0.01073 0.01234 0.00000 0.00107 0.00000
SiT 0.00778 0.00816 0.00925 -0.00073 0.00214 0.00000
AlT 0.00778 0.00816 0.00925 -0.00073 0.00214 0.00000
O1 0.02417 0.01159 0.01491 0.00000 -0.00107 0.00000
O2 0.01695 0.02447 0.01285 -0.00757 0.00508 -0.00470
O3 0.01098 0.01073 0.01080 0.00073 0.00080 0.00000
O4 0.01028 0.01159 0.01080 0.00000 0.00214 0.00000