data_global
_chemical_name_mineral 'Xonotlite'
loop_
_publ_author_name
'Hejny C'
'Armbruster T'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 216 
_journal_year 2001
_journal_page_first 396
_journal_page_last 408
_publ_section_title
;
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
;
_database_code_amcsd 0011088
_chemical_compound_source 'model structure, not experimentally determined'
_chemical_formula_sum 'Ca6 Si6 O19'
_cell_length_a 17.032
_cell_length_b 7.363
_cell_length_c 14.023
_cell_angle_alpha 90
_cell_angle_beta 90.36
_cell_angle_gamma 90
_cell_volume 1758.542
_exptl_crystal_density_diffrn      2.693
_symmetry_space_group_name_H-M 'A 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '1/2-x,1/2+y,1/2-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
Ca1   0.27300   0.87550   0.75230
Ca2   0.06680   0.13110   0.66840
Ca3   0.06930   0.61910   0.67070
Si1   0.10590   0.16410   0.38410
Si2   0.10590   0.58600   0.38430
Si3   0.15910   0.87520   0.52810
O1   0.25000   0.37500   0.00000
O2   0.10950   0.37560   0.42110
O3   0.17560   0.63010   0.30960
O4   0.17170   0.12010   0.30870
O5   0.11490   0.05420   0.48600
O6   0.11470   0.69650   0.48580
O7   0.02120   0.62760   0.33260
O8   0.02150   0.12230   0.33700
O9   0.14940   0.87590   0.63900
O10   0.14890   0.37370   0.63470