data_global
_chemical_name_mineral 'Clinotobermorite'
loop_
_publ_author_name
'Merlino S'
'Bonaccorsi E'
'Armbruster T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 411
_journal_page_last 429
_publ_section_title
;
 The real structure of clinotobermorite and tobermorite 9 A:
 OD character, polytypes, and structural relationships
 Sample: MDO1 data collected at Pisa
;
_database_code_amcsd 0006832
_chemical_formula_sum 'Ca5 Si6 O22 H10'
_cell_length_a 11.276
_cell_length_b 7.343
_cell_length_c 22.642
_cell_angle_alpha 90
_cell_angle_beta 97.28
_cell_angle_gamma 90
_cell_volume 1859.637
_exptl_crystal_density_diffrn      2.611
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+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   0.86510   0.38000   0.46200   0.00610
Ca1A   0.13700   0.36800   0.04270   0.00610
Ca3   0.86710   0.88100   0.44820   0.00540
Ca3A   0.12880   0.87000   0.04690   0.00540
Ca2   0.81200   0.37700   0.21470   0.02800
Si1   0.89080   0.84100   0.59140   0.00100
Si1A   0.10480   0.83300   0.91050   0.00100
Si2   0.99820   0.12300   0.67790   0.01000
Si2A   0.00670   0.12900   0.81990   0.01000
Si3   0.89720   0.42100   0.59550   0.00300
Si3A   0.10570   0.41000   0.90550   0.00300
O1   0.90900   0.97000   0.65300   0.00400
O1A   0.08100   0.93500   0.84600   0.00400
O11   0.92500   0.31100   0.66100   0.01000
O11A   0.09100   0.30200   0.84500   0.01000
O2   0.76900   0.37100   0.55100   0.00500
O2A   0.23000   0.37600   0.93800   0.00500
O21   0.76600   0.88900   0.55700   0.00400
O21A   0.23400   0.86400   0.95100   0.00400
O3   0.00600   0.38200   0.55800   0.00900
O3A   0.00400   0.37000   0.95000   0.00900
O31  -0.00100   0.86600   0.54800   0.00100
O31A  -0.00200   0.85400   0.94300   0.00100
O4   0.89300   0.63100   0.61800   0.01300
O4A   0.10800   0.62600   0.88200   0.01300
O5   0.00900   0.10200   0.74900   0.01000
Wat5   0.01500   0.38000   0.25500   0.02700
O6   0.13000   0.14300   0.65500   0.01500
O6A   0.87800   0.12400   0.83900   0.01500
Wat6   0.15500   0.68200   0.65500   0.06200
Wat6A   0.83800   0.63400   0.84900   0.06200
Wat7   0.75600   0.10800   0.26500   0.04000
Wat8   0.76000   0.60400   0.27200   0.06000