data_global
_chemical_name_mineral 'Umbite'
loop_
_publ_author_name
'Ilyushin G D'
_journal_name_full 'Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy'
_journal_volume 29 
_journal_year 1993
_journal_page_first 971
_journal_page_last 975
_publ_section_title
;
 New data on the crystal structure of umbite K2ZrSi3O9*H2O
;
_database_code_amcsd 0012738
_chemical_formula_sum 'K2 (Zr.86 Ti.14) Si3 O10 H2'
_cell_length_a 10.207
_cell_length_b 13.241
_cell_length_c 7.174
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 969.572
_exptl_crystal_density_diffrn      2.806
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1   0.07270   0.57800   0.71230   1.00000
K2   0.20930   0.86530   0.64960   1.00000
Zr   0.05000   0.70970   0.26000   0.86000
Ti   0.05000   0.70970   0.26000   0.14000
Si1   0.17600   0.32770   0.50480   1.00000
Si2   0.13760   0.33310   0.91800   1.00000
Si3   0.03280   0.45190   0.23040   1.00000
O1   0.16820   0.68840   0.04170   1.00000
O2   0.98570   0.56380   0.26940   1.00000
O3   0.20860   0.68700   0.43390   1.00000
O4   0.11320   0.23020   0.40860   1.00000
O5   0.05720   0.24100   0.99960   1.00000
O6   0.07920   0.86620   0.24460   1.00000
O7   0.09990   0.35490   0.70010   1.00000
O8   0.15590   0.42650   0.37290   1.00000
O9   0.09490   0.43810   0.01840   1.00000
Wat   0.18140   0.06450   0.62780   1.00000