data_9009724
_chemical_name 'Xonotlite'
loop_
_publ_author_name
'Kudoh Y'
'Takeuchi Y'
_journal_name_full "Mineralogical Journal"
_journal_volume 9
_journal_year 1979
_journal_page_first 349
_journal_page_last 373
_publ_section_title
;
 Polytypism in xonotlite: (I) Structure of an A-1 polytype
 Locality: Heguri, Chiba Prefecture, Japan
;
_chemical_formula_sum 'Ca6 Si6 O19 H2'
_cell_length_a 8.712
_cell_length_b 7.363
_cell_length_c 14.023
_cell_angle_alpha 89.99
_cell_angle_beta 90.36
_cell_angle_gamma 102.18
_cell_volume 879.259
_symmetry_space_group_name_H-M 'A -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '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
_atom_site_Uiso_or_equiv
Ca1   0.50460   0.00160   0.25230   0.00747
Ca2   0.13350   0.16450   0.16840   0.01064
Ca3   0.13850   0.65370   0.17070   0.00747
Si1   0.21180   0.21700   0.88410   0.00659
Si2   0.21180   0.63890   0.88430   0.00659
Si3   0.31820   0.95470   0.02810   0.00621
O1   0.50000   0.00000   0.00000   0.02090
O2   0.21900   0.43030   0.92110   0.01532
O3   0.35120   0.71790   0.80960   0.01229
O4   0.34340   0.20590   0.80870   0.01216
O5   0.22970   0.11160   0.98600   0.01267
O6   0.22940   0.75380   0.98580   0.01355
O7   0.04240   0.63820   0.83260   0.01165
O8   0.04630   0.13390   0.83700   0.01191
O9   0.29880   0.95060   0.13900   0.00621
O-H10   0.29770   0.44810   0.13470   0.01672