data_global
_chemical_name_mineral 'Jennite'
loop_
_publ_author_name
'Bonaccorsi E'
'Merlino S'
'Taylor H F W'
_journal_name_full 'Cement and Concrete Research'
_journal_volume 34 
_journal_year 2004
_journal_page_first 1481
_journal_page_last 1488
_publ_section_title
;
 The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O
;
_database_code_amcsd 0012177
_chemical_compound_source 'Fuka, Japan'
_chemical_formula_sum 'Ca9 Si6 O32 H22'
_cell_length_a 10.576
_cell_length_b 7.265
_cell_length_c 10.931
_cell_angle_alpha 101.30
_cell_angle_beta 96.98
_cell_angle_gamma 109.65
_cell_volume 759.496
_exptl_crystal_density_diffrn      2.325
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1   0.06010   0.36320   0.36480   0.05900
Ca2   0.42260   0.79840   0.36170   0.05600
Ca3   0.06580   0.86640   0.37690   0.06100
Ca4   0.42890   0.29540   0.35310   0.06100
Ca5   0.00000   0.50000   0.00000   0.07200
Si1   0.80140   0.94200   0.19390   0.06000
Si2   0.72480   0.24100   0.37480   0.06300
Si3   0.72220   0.67300   0.37840   0.05800
O1   0.97000   0.02400   0.24600   0.05100
O-H2   0.27300   0.96200   0.30800   0.06900
O3   0.58800   0.12900   0.42300   0.04700
O4   0.87200   0.31800   0.48700   0.05700
O5   0.74200   0.12100   0.24600   0.06800
O6   0.72000   0.74700   0.24900   0.06000
O7   0.70100   0.43300   0.33100   0.07100
O8   0.75600   0.85900   0.04090   0.04700
O9   0.58100   0.65800   0.42900   0.05500
O10   0.86600   0.79400   0.48000   0.05800
O-H11   0.27300   0.45800   0.30300   0.06600
O-H12   0.98500   0.54200   0.23000   0.06500
Wat13   0.44300   0.19300   0.12900   0.08600
Wat14   0.54200   0.19100   0.86300   0.08000
Wat1   0.91400   0.14300   0.94100   0.07900
Wat2   0.78100   0.51900   0.96400   0.08300