data_global
_chemical_name_mineral 'Kenotobermorite'
loop_
_publ_author_name
'Merlino S'
'Bonaccorsi E'
'Armbruster T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 577
_journal_page_last 590
_publ_section_title
;
 The real structure of tobermorite 11A: normal and anomalous forms,
 OD character and polytypic modifications
 Note: sample MD01, polytype kenotobermorite-4O
;
_database_code_amcsd 0006884
_chemical_compound_source 'Wessels mine, South Africa'
_chemical_formula_sum 'Ca2 Si3 O11 H3'
_cell_length_a 11.265
_cell_length_b 7.386
_cell_length_c 44.970
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3741.652
_exptl_crystal_density_diffrn      2.439
_symmetry_space_group_name_H-M 'F 2 d d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '+x,-y,-z'
  '+x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1   0.00480   0.99770   0.10340   0.00780
Ca3   0.99840   0.50090   0.10260   0.00740
Si1   0.25000   0.29000   0.07900   0.00600
Si2   0.17600  -0.00100   0.03560   0.00800
Si3   0.25180   0.70770   0.07890   0.00400
O1   0.13600   0.26300   0.10060   0.00300
O1b   0.13800   0.75700   0.09750   0.00700
O2   0.62000   0.50500   0.15110   0.01100
O2b   0.62000   0.00300   0.15410   0.00700
O3   0.18300   0.00000   0.00000   0.01700
O5   0.25100   0.49900   0.06670   0.01000
O6   0.24800   0.17900   0.04750   0.01900
O6b   0.24400   0.82400   0.04760   0.01100
O7   0.03400   0.00700   0.04570   0.02400
O7b   0.99600   0.50800   0.04780   0.04400
Wat2   0.69200   0.00000   0.00000   0.06000
Wat3   0.41600   0.29800   0.00100   0.06000