data_global
_chemical_name_mineral 'Litidionite'
loop_
_publ_author_name
'Pozas J M M'
'Rossi G'
'Tazzoli V'
_journal_name_full 'American Mineralogist'
_journal_volume 60 
_journal_year 1975
_journal_page_first 471
_journal_page_last 474
_publ_section_title
;
 Re-examination and crystal structure analysis of litidionite
;
_database_code_amcsd 0000464
_chemical_formula_sum 'K Na Cu Si4 O10'
_cell_length_a 9.800
_cell_length_b 8.010
_cell_length_c 6.970
_cell_angle_alpha 114.1
_cell_angle_beta 99.5
_cell_angle_gamma 105.6
_cell_volume 456.932
_exptl_crystal_density_diffrn      2.893
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
K   0.00380   0.20330   0.33480   0.02001
Na   0.40900   0.12950   0.66330   0.01988
Cu   0.41220   0.12870   0.16240   0.00937
Si1   0.85930   0.17420   0.81190   0.00823
Si2   0.72220   0.35450   0.56640   0.00836
Si3   0.21100   0.28770   0.95820   0.00747
Si4   0.72560   0.38250   0.15570   0.00861
O1   0.56820   0.20720   0.03230   0.01583
O2   0.27160   0.11610   0.91660   0.01317
O3   0.85350   0.33200   0.04520   0.01545
O4   0.03020   0.18510   0.85490   0.02077
O5   0.25210   0.04320   0.28030   0.01697
O6   0.79430   0.43140   0.41020   0.01520
O7   0.55610   0.20170   0.44590   0.01646
O8   0.25620   0.44710   0.21550   0.02229
O9   0.83310   0.25350   0.63230   0.01646
O10   0.27160   0.40720   0.82860   0.02039
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.02175 0.01264 0.02259 0.00434 0.00683 0.00642
Na 0.01816 0.02433 0.01492 0.00441 0.00743 0.00875
Cu 0.00727 0.01126 0.00838 0.00174 0.00195 0.00548
Si1 0.00624 0.01088 0.00924 0.00335 0.00352 0.00573
Si2 0.01172 0.00817 0.00565 0.00273 0.00320 0.00400
Si3 0.00895 0.00732 0.00696 0.00380 0.00317 0.00326
Si4 0.01214 0.00876 0.00616 0.00221 0.00353 0.00470
O1 0.01357 0.01854 0.00972 -0.00075 0.00054 0.00665
O2 0.01583 0.01342 0.01425 0.00920 0.00448 0.00796
O3 0.01516 0.01299 0.01350 0.00260 0.00435 0.00360
O4 0.00724 0.01395 0.03215 0.00462 -0.00027 0.00496
O5 0.01718 0.01497 0.01884 0.00343 0.00898 0.00829
O6 0.01506 0.01925 0.00946 0.00069 0.00152 0.00904
O7 0.01189 0.02184 0.01269 -0.00001 0.00247 0.00966
O8 0.03738 0.01914 0.01060 0.01422 0.00696 0.00548
O9 0.02274 0.02214 0.01336 0.01294 0.00929 0.01277
O10 0.03418 0.01620 0.02704 0.01565 0.02069 0.01687