data_global
_chemical_name_mineral 'Wadeite'
loop_
_publ_author_name
'Xu H'
'Navrotsky A'
'Balmer M L'
'Su Y'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 426
_journal_page_last 435
_publ_section_title
;
 Crystal-chemical and energetic systematics of wadeite-type phases
 A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)
;
_database_code_amcsd 0008975
_chemical_formula_sum 'K2 Zr Si3 O9'
_cell_length_a 6.9360
_cell_length_b 6.9360
_cell_length_c 10.1822
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 424.219
_exptl_crystal_density_diffrn      3.113
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+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
KA   0.33333   0.66667   0.05840   0.01980
ZrB   0.00000   0.00000   0.00000   0.00700
Si   0.38920   0.25840   0.25000   0.00580
O1   0.48800   0.09000   0.25000   0.01120
O2   0.25850   0.24290   0.11770   0.01120