data_global
_chemical_name_mineral 'Chlorite'
loop_
_publ_author_name
'Bailey S W'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 24 
_journal_year 1986
_journal_page_first 649
_journal_page_last 654
_publ_section_title
;
 Re-evaluation of ordering and local charge-balance in Ia chlorite
;
_database_code_amcsd 0005213
_chemical_formula_sum 'Si3 Al1.2 Mg5 Fe.1 Cr.7 O18 H7.9'
_cell_length_a 5.329
_cell_length_b 9.246
_cell_length_c 14.442
_cell_angle_alpha 90.
_cell_angle_beta 97.1
_cell_angle_gamma 90.
_cell_volume 706.129
_exptl_crystal_density_diffrn      2.709
_symmetry_space_group_name_H-M 'C -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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SiT1   0.39680  -0.00010   0.19060   0.75000
AlT1   0.39680  -0.00010   0.19060   0.12500
SiT2   0.89700   0.16670   0.19080   0.75000
AlT2   0.89700   0.16670   0.19080   0.37500
MgM1   0.00000   0.00000   0.00000   1.00000
MgM2  -0.00090   0.33340   0.00006   1.00000
MgM3   0.00120   0.16660   0.50314   1.00000
FeM4   0.50000   0.00000   0.50000   0.10000
CrM4   0.50000   0.00000   0.50000   0.70000
AlM4   0.50000   0.00000   0.50000   0.20000
O1   0.35900   0.00000   0.07660   1.00000
O2   0.85880   0.16670   0.07670   1.00000
O-h1   0.35780   0.33310   0.07340   1.00000
O3   0.14670   0.06910   0.23190   1.00000
O4   0.64630   0.09670   0.23180   1.00000
O5   0.93830   0.33330   0.23200   1.00000
O-h2   0.15170   0.00180   0.42910   1.00000
O-h3   0.13590   0.33680   0.42920   1.00000
O-h4   0.64150   0.16160   0.42920   1.00000
H1   0.36700   0.33140   0.14050   1.00000
H2   0.09680   0.01890   0.37140   1.00000
H3   0.08160   0.33560   0.36810   1.00000
H4   0.61810   0.15250   0.37300   0.95000
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
SiT1 0.00765 0.00606 0.01040 0.00025 0.00115 0.00067
AlT1 0.00765 0.00606 0.01040 0.00025 0.00115 0.00067
SiT2 0.00822 0.00650 0.01145 -0.00025 0.00115 0.00000
AlT2 0.00822 0.00650 0.01145 -0.00025 0.00115 0.00000
MgM1 0.00553 0.00476 0.01040 0.00000 0.00115 0.00000
MgM2 0.00581 0.00520 0.01040 0.00025 0.00077 0.00000
MgM3 0.00510 0.00260 0.00832 0.00000 0.00077 0.00000
FeM4 0.01247 0.00996 0.01353 0.00000 0.00154 0.00067
CrM4 0.01247 0.00996 0.01353 0.00000 0.00154 0.00067
AlM4 0.01247 0.00996 0.01353 0.00000 0.00154 0.00067
O1 0.00638 0.00693 0.01249 0.00099 0.00154 0.00067
O2 0.00581 0.00736 0.01353 0.00000 0.00154 0.00067
O-h1 0.00850 0.00823 0.01353 -0.00025 0.00154 0.00000
O3 0.01714 0.01992 0.01665 0.00396 0.00230 0.00134
O4 0.01870 0.02079 0.01665 -0.00372 0.00115 0.00000
O5 0.02295 0.01386 0.01665 0.00074 0.00192 0.00067
O-h2 0.01601 0.01039 0.01040 0.00074 0.00154 0.00067
O-h3 0.01544 0.01126 0.01040 -0.00099 0.00115 0.00000
O-h4 0.01374 0.01169 0.01145 0.00074 0.00192 0.00000