data_global
_chemical_name_mineral 'Chloritoid'
loop_
_publ_author_name
'Koch-Muller M'
'Abs-Wurmbach I'
'Langer K'
'Shaw C'
'Wirth R'
'Gottschalk M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 293
_journal_page_last 314
_publ_section_title
;
 Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and
 thermodynamic studies
 Sample: RO2
;
_database_code_amcsd 0006829
_chemical_formula_sum 'Al3.985 Fe.875 Mg1.12 Si2 (O14 H4)'
_cell_length_a 9.451
_cell_length_b 5.4674
_cell_length_c 18.159
_cell_angle_alpha 90
_cell_angle_beta 101.4
_cell_angle_gamma 90
_cell_volume 919.807
_exptl_crystal_density_diffrn      3.378
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
AlM1A   0.25000   0.25000   0.00000   0.98500
FeM1A   0.25000   0.25000   0.00000   0.01500
AlM2A   0.00000   0.42610   0.25000   1.00000
FeM1B   0.08500   0.74010   0.00340   0.43000
MgM1B   0.08500   0.74010   0.00340   0.56000
AlM2B1   0.25330   0.65240   0.24850   1.00000
SiT   0.46690   0.40360   0.16020   1.00000
O-H1A   0.11460   0.39870   0.05400   1.00000
O-H1B   0.26160   0.93460   0.04610   1.00000
O1C   0.43210   0.41350   0.06810   1.00000
O2A   0.39660   0.16890   0.19630   1.00000
O2B   0.39700   0.63820   0.19650   1.00000
O2C   0.14180   0.89100   0.19150   1.00000
O2D   0.14810   0.41450   0.19900   1.00000