data_global
_chemical_name_mineral 'Vermiculite'
loop_
_publ_author_name
'Haase D J'
'Weiss E J'
'Steinfink H'
_journal_name_full 'American Mineralogist'
_journal_volume 48
_journal_year 1963
_journal_page_first 261
_journal_page_last 270
_publ_section_title
;
 The crystal structure of a hexamethylene-diamine-vermiculite complex
;
_database_code_amcsd 122
_chemical_formula_sum 'Mg3 Si4 O12 N4 C12'
_cell_length_a 5.33
_cell_length_b 9.18
_cell_length_c 17.12
_cell_angle_alpha 90.0
_cell_angle_beta 97.0
_cell_angle_gamma 90.0
_cell_volume 831.428
_exptl_crystal_density_diffrn  2.306
_symmetry_space_group_name_H-M 'C 1 2 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
Mg1   0.0  0.0  0.0
Mg2   0.0  0.333  0.0
Mg3   0.0  0.667  0.0
Si1   0.3967  0.992  0.1607
Si2   0.3967  0.333  0.1607
Ob   0.3579  0.992  0.0624
Ob   0.3579  0.348  0.0624
Ob   0.3579  0.6617  0.0624
O1   0.4322  0.1775  0.1775
O2   0.1482  0.404  0.196
O3   0.1482  0.929  0.196
N1   0.32  0.16  0.33
C1   0.15  0.1875  0.3925
C2   0.13  0.3475  0.4035
C3   -0.04  0.375  0.469
C4   -0.06  0.535  0.48
C5   -0.23  0.5625  0.5455
C6   0.75  0.7225  0.5565
N2   -0.42  0.75  0.619