data_global _chemical_name_mineral 'Buchwaldite' loop_ _publ_author_name 'Ben Amara M' 'Vlasse M' 'Le Flem G' 'Hagenmuller P' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 1483 _journal_page_last 1485 _publ_section_title ; Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 ; _database_code_amcsd 0009985 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Na P O4' _cell_length_a 20.397 _cell_length_b 5.412 _cell_length_c 9.161 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1011.270 _exptl_crystal_density_diffrn 3.114 _symmetry_space_group_name_H-M 'P n 21 a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2-z' '1/2-x,1/2+y,1/2+z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.00110 0.26000 0.70110 0.00583 Ca2 0.16740 0.22780 0.79430 0.00697 Ca3 0.33560 0.20510 0.70230 0.00722 Na1 0.05590 0.26240 0.07190 0.01444 Na2 0.22160 0.22120 0.42770 0.02001 Na3 0.39200 0.23680 0.07040 0.01292 P1 0.40710 0.25390 0.41440 0.00633 P2 0.24040 0.22260 0.08190 0.00456 P3 0.07620 0.22380 0.40970 0.00279 O1 0.33380 0.27610 0.44170 0.01697 O2 0.44530 0.25880 0.55800 0.02090 O3 0.42410 0.01400 0.33480 0.01178 O4 0.42890 0.47690 0.31900 0.00570 O5 0.16980 0.27580 0.06260 0.01013 O6 0.27500 0.17050 0.93300 0.01406 O7 0.25310 0.00930 0.18860 0.01532 O8 0.27170 0.46500 0.15470 0.01811 O9 0.00110 0.17200 0.44340 0.01710 O10 0.10710 0.26860 0.56250 0.01621 O11 0.10390 0.99740 0.34410 0.01760 O12 0.08360 0.45530 0.31560 0.00659