data_global
_chemical_name_mineral 'Chloritoid'
loop_
_publ_author_name
'Koch-Muller M'
'Kahlenberg V'
'Schmidt C'
'Wirth R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 27 
_journal_year 2000
_journal_page_first 703
_journal_page_last 712
_publ_section_title
;
 Location of OH groups and oxidation processes in triclinic chloritoid
;
_database_code_amcsd 0008491
_chemical_formula_sum 'Al3.844 Fe.857 Mn.701 Mg.598 Si2 (O14 H4)'
_cell_length_a 5.4744
_cell_length_b 5.4766
_cell_length_c 9.1505
_cell_angle_alpha 83.53
_cell_angle_beta 76.68
_cell_angle_gamma 60.06
_cell_volume 231.335
_exptl_crystal_density_diffrn      3.509
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-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
AlM1A   0.00000   0.00000   0.00000   0.84400   0.00900
FeM1A   0.00000   0.00000   0.00000   0.15600   0.00900
AlM2A   0.00000   0.50000   0.50000   1.00000   0.00400
FeM1B   0.33040  -0.66220  -0.00120   0.35050   0.00900
MnM1B   0.33040  -0.66220  -0.00120   0.35050   0.00900
MgM1B   0.33040  -0.66220  -0.00120   0.29900   0.00900
AlM2B1   0.00000   0.00000   0.50000   1.00000   0.00400
AlM2B2   0.50000   0.50000   0.50000   1.00000   0.00500
SiT   0.42720  -0.00010  -0.31270   1.00000   0.00500
O1A   0.02840  -0.30460  -0.10650   1.00000   0.01200
H1A   0.02840  -0.30460  -0.10650   1.00000   0.01200
O1B   0.72340  -0.69540  -0.10120   1.00000   0.01300
H1B   0.72340  -0.69540  -0.10120   1.00000   0.01300
O1C   0.35290   0.00130  -0.12800   1.00000   0.00900
O2A   0.12630   0.16190  -0.37600   1.00000   0.00500
O2B   0.61510  -0.32520  -0.37560   1.00000   0.00400
O2C   0.61420  -0.83730  -0.37470   1.00000   0.00400
O2D   0.13000  -0.33250  -0.40420   1.00000   0.00500