data_9008438
_chemical_name '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)
 Locality: model structure, not experimentally determined
;
_chemical_formula_sum 'Ca6 Si6 O19'
_cell_length_a 8.712
_cell_length_b 7.363
_cell_length_c 7.012
_cell_angle_alpha 89.99
_cell_angle_beta 90.36
_cell_angle_gamma 102.18
_cell_volume 439.661
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.50000   0.50000   0.50000
Ca2   0.50000   0.00000   0.50000
Ca3   0.13350   0.16450   0.33680
Ca4   0.13850   0.65370   0.34140
Si1   0.21180   0.21700   0.76820
Si2   0.21180   0.63890   0.76860
Si3   0.31820   0.95470   0.05620
O1   0.50000   0.00000   0.00000
O2   0.21900   0.43030   0.84220
O3   0.35120   0.71790   0.61920
O4   0.34340   0.20590   0.61740
O5   0.22970   0.11160   0.97200
O6   0.22940   0.75380   0.97160
O7   0.04240   0.63820   0.66520
O8   0.04630   0.13390   0.67400
O9   0.29880   0.95060   0.27800
O10   0.29770   0.44810   0.26940