data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Ventruti G'
'Zema M'
'Scordari F'
'Pedrazzi G'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 632
_journal_page_last 643
_publ_section_title
;
 Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
 An in situ X-ray single-crystal diffraction study
 Sample: T = 298 K after reversal experiment
;
_database_code_amcsd 0004550
_chemical_compound_source 'trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum 'K (Mg2.215 Fe.785) Si2.693 Al1.224 O12'
_cell_length_a 5.3160
_cell_length_b 9.2043
_cell_length_c 10.1613
_cell_angle_alpha 90
_cell_angle_beta 100.060
_cell_angle_gamma 90
_cell_volume 489.549
_exptl_crystal_density_diffrn      2.967
_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   0.50000   0.00000   1.02170   0.02870
MgM1   0.00000   0.00000   0.50000   0.73956   0.01270
FeM1   0.00000   0.00000   0.50000   0.26044   0.01270
MgM2   0.00000   0.34126   0.50000   0.73765   0.01040
FeM2   0.00000   0.34126   0.50000   0.26235   0.01040
Si   0.07398   0.16718   0.22456   0.67320   0.00930
Al   0.07398   0.16718   0.22456   0.30600   0.00930
O1   0.32800   0.22620   0.16690   1.00000   0.01820
O2   0.00830   0.00000   0.16830   1.00000   0.01800
O3   0.13040   0.16860   0.39181   1.00000   0.01040
O4   0.13510   0.50000   0.40050   1.00000   0.01170
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 0.02590 0.02640 0.03420 0.00000 0.00640 0.00000
MgM1 0.01040 0.00970 0.01880 0.00000 0.00480 0.00000
FeM1 0.01040 0.00970 0.01880 0.00000 0.00480 0.00000
MgM2 0.00500 0.01170 0.01320 0.00000 0.00100 0.00000
FeM2 0.00500 0.01170 0.01320 0.00000 0.00100 0.00000
Si 0.00760 0.00820 0.01220 0.00020 0.00209 0.00000
Al 0.00760 0.00820 0.01220 0.00020 0.00209 0.00000
O1 0.01550 0.02190 0.01770 -0.00530 0.00460 -0.00400
O2 0.02320 0.01230 0.01730 0.00000 0.00030 0.00000
O3 0.00830 0.00910 0.01380 0.00010 0.00190 -0.00040
O4 0.01110 0.01130 0.01310 0.00000 0.00360 0.00000