data_1010960
_chemical_name_systematic
;
Hexamagnesium closo-undecaoxodisilicate hexahydroxide hydrate
;
_chemical_name_mineral             'Chrysotile'
_chemical_compound_source          'from Thedford Mines, Canada'
_chemical_formula_structural       '(O H)6 Mg6 Si4 O11 (H2 O)'
_chemical_formula_analytical       '(H4 Mg3 Si2 O9)2'
_chemical_formula_sum              'H8 Mg6 O18 Si4'
_publ_section_title
;
The crystal structure of chrysotile H4 Mg3 Si2 O9
;
loop_
_publ_author_name
  'Warren, B E'
  'Bragg, W L'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    76
_journal_year                      1931
_journal_page_first                201
_journal_page_last                 210
_cell_length_a                     14.66
_cell_length_b                     18.5
_cell_length_c                     5.33
_cell_angle_alpha                  90
_cell_angle_beta                   93.27
_cell_angle_gamma                  90
_cell_volume                       1443.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  Mg2+   2.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Si1   Si4+   8 j 0.13 0.08 0. 1.  0 d
  Si2   Si4+   8 j 0.13 0.17 0. 1.  0 d
  Mg1   Mg2+   4 g 0. 0.25 0. 1.  0 d
  Mg2   Mg2+   8 j 0.18 0.33 0. 1.  0 d
  Mg3   Mg2+   8 j 0.18 0.42 0. 1.  0 d
  Mg4   Mg2+   4 i 0.18 0.5 0. 1.  0 d
  O1    O2-    4 i 0.1 0. 0. 1.  0 d
  O2    O2-    8 j 0.1 0.13 0. 1.  0 d
  O3    O2-    8 j 0.1 0.13 0.5 1.  0 d
  O4    O2-    8 j 0.1 0.25 0. 1.  0 d
  O5    O2-    8 j 0.25 0.08 0. 1.  0 d
  O6    O2-    8 j 0.25 0.17 0. 1.  0 d
  O7    O2-    4 e 0.25 0.25 0. 1.  2 d
  O8    O2-    4 i 0.25 0. 0. 1.  1 d
  O9    O2-    8 j 0.1 0.33 0. 1.  1 d
  O10   O2-    8 j 0.1 0.42 0. 1.  1 d
  O11   O2-    4 i 0.1 0.5 0. 1.  1 d
  H1    H1+    8 j -1. -1. -1. 4.  0 dum