data_global
_chemical_name_mineral 'Indialite'
loop_
_publ_author_name
'Meagher E P'
'Gibbs G V'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 15 
_journal_year 1977
_journal_page_first 43
_journal_page_last 49
_publ_section_title
;
 The polymorphism of cordierite: II. The crystal structure of indialite
;
_database_code_amcsd 0005136
_chemical_compound_source 'from a burning coal seam in the Bokaro coalfield, India'
_chemical_formula_sum '(Si5.04 Al3.96) (Mg1.36 Fe.64) O18'
_cell_length_a 9.800
_cell_length_b 9.800
_cell_length_c 9.345
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 777.252
_exptl_crystal_density_diffrn      2.586
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SiT1   0.50000   0.50000   0.25000   0.28000
AlT1   0.50000   0.50000   0.25000   0.72000
SiT2   0.37270   0.26680   0.00000   0.70000
AlT2   0.37270   0.26680   0.00000   0.30000
MgM   0.33333   0.66667   0.25000   0.68000
FeM   0.33333   0.66667   0.25000   0.32000
O1   0.48510   0.34940   0.14450   1.00000
O2   0.23050   0.30930   0.00000   1.00000
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 0.00774 0.00777 0.01885 0.00303 0.00000 0.00000
AlT1 0.00774 0.00777 0.01885 0.00303 0.00000 0.00000
SiT2 0.01263 0.01325 0.01947 0.00744 0.00000 0.00000
AlT2 0.01263 0.01325 0.01947 0.00744 0.00000 0.00000
MgM 0.01744 0.01744 0.03411 0.00872 0.00000 0.00000
FeM 0.01744 0.01744 0.03411 0.00872 0.00000 0.00000
O1 0.01087 0.01044 0.02796 0.00361 -0.00317 0.00020
O2 0.02894 0.02996 0.03601 0.02368 0.00000 0.00000