data_global
_chemical_name_mineral 'Nontronite'
loop_
_publ_author_name
'Dainyak L G'
'Zviagina B B'
'Rusakov V S'
'Drits V A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 753
_journal_page_last 764
_publ_section_title
;
 Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations
 Sample: tv structure
;
_database_code_amcsd 0007180
_chemical_compound_source 'Garfield, Washington, USA'
_chemical_formula_sum 'Fe Si2 O6 H'
_cell_length_a 5.277
_cell_length_b 9.140
_cell_length_c 9.780
_cell_angle_alpha 90
_cell_angle_beta 101.0
_cell_angle_gamma 90
_cell_volume 463.040
_exptl_crystal_density_diffrn      2.998
_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
FeM   0.50000   0.16670   0.00000
SiT   0.31010   0.32910   0.28410
O1   0.30940   0.31220   0.11480
O2   0.30940   0.50000   0.32930
O3   0.05930   0.75000   0.34800
O-H   0.37410   0.00000   0.10750