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: Model 2
;
_database_code_amcsd 0007181
_chemical_compound_source 'Garfield, Washington, USA'
_chemical_formula_sum 'Na.41 Fe2 Si4 O10.01'
_cell_length_a 5.277
_cell_length_b 9.140
_cell_length_c 9.60
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 463.025
_exptl_crystal_density_diffrn      2.823
_symmetry_space_group_name_H-M 'P 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.84500   0.15500   0.37000   0.20500
Na2   0.34500   0.65500   0.37000   0.20500
Na3   0.15500   0.15500  -0.37000   0.20500
Na4   0.65500   0.65500   0.63000   0.20500
FeM11   0.00000   0.66667   0.00000   1.00000
FeM12   0.50000   0.16667   0.00000   1.00000
FeM21   0.00000   0.33333   0.00000   1.00000
FeM22   0.50000   0.83333   0.00000   1.00000
SiT11   0.35100  -0.00900   0.28400   1.00000
SiT12   0.85100   0.49100   0.28400   1.00000
SiT21   0.33800   0.32000   0.28400   1.00000
SiT22   0.83800   0.82000   0.28400   1.00000
SiT31   0.64900  -0.00900  -0.28400   1.00000
SiT32   0.14900   0.49100  -0.28400   1.00000
SiT41   0.66200   0.32000  -0.28400   1.00000
SiT42   0.16200   0.82000  -0.28400   1.00000
O11   0.38000  -0.00100   0.10500   1.00000
O12   0.88000   0.49900   0.10500   1.00000
O21   0.31700   0.31100   0.10500   1.00000
O22   0.81700   0.81100   0.10500   1.00000
O31   0.62000  -0.00100  -0.10500   1.00000
O32   0.12000   0.49900  -0.10500   1.00000
O41   0.68300   0.31100  -0.10500   1.00000
O42   0.18300   0.81100  -0.10500   1.00000
OR1   0.31650   0.68700   0.09750   0.01000
OR2   0.18300   0.18700  -0.09750   0.01000
O51   0.09600   0.90500   0.32900   1.00000
O52   0.59600   0.40500   0.32900   1.00000
O61   0.84600   0.65500   0.34800   1.00000
O62   0.34600   0.15500   0.34800   1.00000
O71   0.59500   0.90500   0.34800   1.00000
O72   0.09500   0.40500   0.34800   1.00000
O81   0.90400   0.90500  -0.32900   1.00000
O82   0.40400   0.40500  -0.32900   1.00000
O91   0.15400   0.65500  -0.34800   1.00000
O92   0.65400   0.15500  -0.34800   1.00000
O101   0.40500   0.90500  -0.34800   1.00000
O102   0.90500   0.40500  -0.34800   1.00000