data_global _chemical_name_mineral 'Beryllonite' loop_ _publ_author_name 'Giuseppetti G' 'Tadini C' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 20 _journal_year 1973 _journal_page_first 1 _journal_page_last 12 _publ_section_title ; Refinement of the crystal structure of beryllonite ; _database_code_amcsd 0015643 _chemical_formula_sum 'Na Be P O4' _cell_length_a 8.178 _cell_length_b 7.818 _cell_length_c 14.114 _cell_angle_alpha 90 _cell_angle_beta 90.00 _cell_angle_gamma 90 _cell_volume 902.387 _exptl_crystal_density_diffrn 2.804 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.24770 0.00460 0.24990 Na2 0.73080 0.47120 0.08810 Na3 0.77370 0.03050 0.06820 Be1 0.92200 0.16990 0.24110 Be2 0.39910 0.16930 0.41900 Be3 0.43290 0.17100 0.09100 P1 0.58060 0.28580 0.26280 P2 0.10690 0.29020 0.08130 P3 0.06890 0.28870 0.40840 O1 0.44110 0.26780 0.19060 O2 0.06620 0.26860 0.18550 O3 0.24830 0.27700 0.37620 O4 0.74300 0.24990 0.21370 O5 0.95240 0.25200 0.02230 O6 0.56000 0.25340 0.01340 O7 0.55500 0.16520 0.34580 O8 0.24490 0.16740 0.05270 O9 0.96090 0.16450 0.35300 O10 0.57690 0.47020 0.29940 O11 0.16630 0.47240 0.06420 O12 0.00680 0.47010 0.39040 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 0.02572 0.02198 0.02634 -0.00081 -0.00012 -0.00039 Na2 0.01969 0.01294 0.01917 -0.00036 0.00415 -0.00229 Na3 0.01325 0.01709 0.01423 -0.00236 -0.00263 -0.00246 Be1 0.00271 0.01270 0.00838 -0.00010 0.00064 0.00201 Be2 0.01057 0.00929 0.01191 -0.00253 -0.00298 -0.00022 Be3 0.00623 0.01889 0.00202 -0.00269 0.00123 0.00207 P1 0.00346 0.00449 0.00474 -0.00019 -0.00041 0.00011 P2 0.00356 0.00424 0.00636 -0.00036 -0.00070 0.00022 P3 0.00298 0.00368 0.00545 0.00052 -0.00023 -0.00078 O1 0.00647 0.01242 0.00616 0.00185 -0.00088 -0.00319 O2 0.01162 0.01818 0.00525 -0.00143 -0.00064 0.00246 O3 0.00695 0.01740 0.01332 0.00058 0.00199 -0.00017 O4 0.01216 0.01793 0.01241 0.00013 0.00228 0.00089 O5 0.00485 0.01505 0.01181 -0.00191 -0.00158 0.00073 O6 0.00847 0.01845 0.00999 -0.00230 0.00088 0.00201 O7 0.01288 0.01301 0.01241 0.00123 0.00199 0.00067 O8 0.01054 0.01056 0.01312 0.00062 -0.00012 -0.00129 O9 0.01216 0.00790 0.01312 0.00220 -0.00012 0.00123 O10 0.01836 0.00743 0.01070 0.00104 0.00018 -0.00034 O11 0.01111 0.00644 0.01494 0.00019 0.00000 0.00134 O12 0.01484 0.01161 0.01231 0.00204 -0.00333 0.00184