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: AA3
;
_database_code_amcsd 0007125
_chemical_compound_source 'Colli Albani volcano, central Italy'
_chemical_formula_sum 'Ba.023 K.985 Al1.287 Ti.138 Fe.513 Mg2.331 Mn.003 Si2.728 O12'
_cell_length_a 5.3318
_cell_length_b 9.227
_cell_length_c 10.244
_cell_angle_alpha 90
_cell_angle_beta 100.005
_cell_angle_gamma 90
_cell_volume 496.305
_exptl_crystal_density_diffrn      2.925
_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   0.02300   0.02774
KA   0.00000   0.50000   0.00000   0.98500   0.02774
AlM1   0.00000   0.00000   0.50000   0.00500   0.00861
TiM1   0.00000   0.00000   0.50000   0.04600   0.00861
Fe2+M1   0.00000   0.00000   0.50000   0.17100   0.00861
MgM1   0.00000   0.00000   0.50000   0.77700   0.00861
MnM1   0.00000   0.00000   0.50000   0.00100   0.00861
AlM2   0.00000   0.33520   0.50000   0.00500   0.00887
TiM2   0.00000   0.33520   0.50000   0.04600   0.00887
Fe2+M2   0.00000   0.33520   0.50000   0.17100   0.00887
MgM2   0.00000   0.33520   0.50000   0.77700   0.00887
MnM2   0.00000   0.33520   0.50000   0.00100   0.00887
SiT   0.07520   0.16680   0.22640   0.68200   0.00671
AlT   0.07520   0.16680   0.22640   0.31800   0.00671
O1   0.00880   0.00000   0.17020   1.00000   0.01583
O2   0.32980   0.22620   0.16930   1.00000   0.01570
O3   0.13090   0.16760   0.39180   1.00000   0.00887
O4   0.13190   0.50000   0.39930   1.00000   0.00912
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 0.02919 0.02717 0.02681 0.00000 0.00456 0.00000
KA 0.02919 0.02717 0.02681 0.00000 0.00456 0.00000
AlM1 0.00796 0.00561 0.01289 0.00000 0.00295 0.00000
TiM1 0.00796 0.00561 0.01289 0.00000 0.00295 0.00000
Fe2+M1 0.00796 0.00561 0.01289 0.00000 0.00295 0.00000
MgM1 0.00796 0.00561 0.01289 0.00000 0.00295 0.00000
MnM1 0.00796 0.00561 0.01289 0.00000 0.00295 0.00000
AlM2 0.00615 0.00992 0.01083 0.00000 0.00134 0.00000
TiM2 0.00615 0.00992 0.01083 0.00000 0.00134 0.00000
Fe2+M2 0.00615 0.00992 0.01083 0.00000 0.00134 0.00000
MgM2 0.00615 0.00992 0.01083 0.00000 0.00134 0.00000
MnM2 0.00615 0.00992 0.01083 0.00000 0.00134 0.00000
SiT 0.00642 0.00561 0.00825 0.00000 0.00161 0.00000
AlT 0.00642 0.00561 0.00825 0.00000 0.00161 0.00000
O1 0.02151 0.01165 0.01289 0.00000 -0.00134 0.00000
O2 0.01508 0.01941 0.01289 -0.00540 0.00295 -0.00330
O3 0.00866 0.00819 0.00980 -0.00025 0.00134 0.00000
O4 0.00838 0.01035 0.00928 0.00000 0.00215 0.00000