data_global _chemical_name_mineral 'Wardite' loop_ _publ_author_name 'Fanfani L' 'Nunzi A' 'Zanazzi P F' _journal_name_full 'Mineralogical Magazine' _journal_volume 37 _journal_year 1970 _journal_page_first 598 _journal_page_last 605 _publ_section_title ; The crystal structure of wardite ; _database_code_amcsd 0014451 _chemical_compound_source 'Fairfield, Utah, USA' _chemical_formula_sum 'P2 Al3 Na O14 H8' _cell_length_a 7.03 _cell_length_b 7.03 _cell_length_c 19.04 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 940.974 _exptl_crystal_density_diffrn 2.809 _symmetry_space_group_name_H-M 'P 41 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,1/4+z' '1/2-x,1/2+y,1/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,3/4+z' '1/2+x,1/2-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv P 0.14270 0.36590 0.34880 0.01115 Al(1) 0.39840 0.10570 0.25810 0.01077 Al(2) 0.10290 0.10290 0.00000 0.01520 Na 0.37330 0.37330 0.50000 0.02812 O(1) -0.03170 0.42790 0.30910 0.02343 O(2) 0.29600 0.51120 0.33780 0.02077 O(3) 0.20310 0.17710 0.32160 0.02533 O(4) 0.09940 0.35320 0.42740 0.01976 O-H(5) 0.13260 0.35370 -0.03940 0.02077 Wat(6) 0.18830 0.02940 0.19150 0.02875 O-H(7) 0.40830 0.34890 0.21730 0.02001 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 P 0.01202 0.01027 0.01102 0.00075 -0.00136 0.00068 Al(1) 0.01252 0.00876 0.01102 0.00050 0.00203 0.00203 Al(2) 0.01828 0.01828 0.00918 -0.00100 -0.00136 0.00136 Na 0.03480 0.03480 0.01469 0.00476 0.00475 -0.00475 O(1) 0.00851 0.03781 0.02388 0.00325 -0.00271 0.00068 O(2) 0.02754 0.03280 0.00184 -0.00225 0.00475 -0.00407 O(3) 0.03055 0.02704 0.01837 -0.00626 0.00271 -0.00136 O(4) 0.03405 0.01803 0.00735 0.01427 0.00610 0.00407 O-H(5) 0.01953 0.02829 0.01469 -0.00050 -0.00136 0.00068 Wat(6) 0.03906 0.03655 0.01102 -0.00426 -0.00339 -0.00407 O-H(7) 0.02228 0.02479 0.01286 -0.01052 0.00136 -0.00339