data_global _chemical_name_mineral 'Tancoite' loop_ _publ_author_name 'Hawthorne F C' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 31 _journal_year 1983 _journal_page_first 121 _journal_page_last 135 _publ_section_title ; The crystal structure of tancoite ; _database_code_amcsd 0015695 _chemical_formula_sum 'H2 Na2 Li Al P2 O9' _cell_length_a 6.948 _cell_length_b 14.089 _cell_length_c 14.065 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1376.828 _exptl_crystal_density_diffrn 2.777 _symmetry_space_group_name_H-M 'P b c b' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' 'x,-y,1/2+z' '-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 H2 0.58700 0.70400 0.13200 0.01267 Na1 0.50000 0.00000 0.00000 0.02786 Na2 0.50000 0.51430 0.25000 0.02786 Na3 0.02470 0.25000 0.00000 0.01646 Na4 0.00000 0.24790 0.25000 0.02660 Li 0.26140 0.87160 0.12580 0.03673 Al1 0.00000 0.00000 0.00000 0.00418 Al2 0.00000 0.50220 0.25000 0.00709 P1 0.27550 0.36750 0.12710 0.00823 P2 0.26330 0.64160 0.12000 0.00621 O1 0.18520 0.09450 0.28630 0.00887 O2 0.17760 0.40330 0.22020 0.00760 O3 0.18290 0.59140 0.03400 0.01520 O4 0.16430 0.59680 0.54200 0.00887 O5 0.26410 0.25870 0.12930 0.01621 O6 0.19680 0.74550 0.12000 0.01494 O7 0.48090 0.40500 0.12700 0.01798 O8 0.48280 0.63300 0.12110 0.01545 O9 0.11400 0.00310 0.12170 0.00861 H1 0.18400 0.06500 0.14700 0.01267 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 Na1 0.02103 0.04626 0.01503 -0.00446 -0.00644 0.00502 Na2 0.02690 0.04425 0.01303 0.00000 -0.00842 0.00000 Na3 0.03546 0.01408 0.00100 0.00000 0.00000 -0.00201 Na4 0.04353 0.01106 0.02505 0.00000 -0.00941 0.00000 Li 0.02910 0.00905 0.07316 -0.00595 0.02673 -0.01004 Al1 0.01149 0.00402 -0.00301 0.00099 -0.00396 0.00100 Al2 0.00073 0.00603 0.01403 0.00000 0.00495 0.00000 P1 0.00660 0.01006 0.00802 0.00347 0.00248 0.00100 P2 0.00685 0.00804 0.00401 -0.00298 -0.00050 0.00100 O1 0.00905 0.00804 0.00902 -0.00793 -0.00149 -0.00402 O2 0.00905 0.00804 0.00601 0.00744 0.00149 0.00000 O3 0.02495 0.01006 0.01002 -0.00298 -0.00446 0.00301 O4 0.01223 0.01207 0.00401 -0.00050 0.00248 0.00000 O5 0.02543 0.00804 0.01503 0.00099 -0.00050 -0.00201 O6 0.02617 0.00704 0.01203 -0.00248 0.00248 -0.00100 O7 0.00978 0.02916 0.01503 -0.00099 0.00347 0.01004 O8 0.00562 0.02514 0.01503 0.00298 0.00149 0.00803 O9 0.00880 0.01307 0.00401 0.00099 0.00743 0.00000