data_global _chemical_name_mineral 'Bederite' loop_ _publ_author_name 'Galliski M A' 'Cooper M A' 'Hawthorne F C' 'Cerny P' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 1674 _journal_page_last 1679 _publ_section_title ; Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina: Description and crystal structure ; _database_code_amcsd 0002333 _chemical_formula_sum 'P3 Mn1.89 Mg.44 Fe.94 Zn.02 Al.09 Na.1 Ca1.03 O13 H2' _cell_length_a 12.559 _cell_length_b 12.834 _cell_length_c 11.714 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1888.088 _exptl_crystal_density_diffrn 3.639 _symmetry_space_group_name_H-M 'P c a b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv P1 0.38715 0.29998 0.23044 1.00000 ? P2 0.09661 0.44479 0.25952 1.00000 ? P3 0.26392 0.12462 0.47847 1.00000 ? Mn1 0.14793 0.20846 0.23362 0.51000 ? Mg1 0.14793 0.20846 0.23362 0.31000 ? Fe1 0.14793 0.20846 0.23362 0.16000 ? Zn1 0.14793 0.20846 0.23362 0.02000 ? Fe2 0.33024 0.04152 0.22862 0.78000 ? Mg2 0.33024 0.04152 0.22862 0.13000 ? Al2 0.33024 0.04152 0.22862 0.09000 ? Mn3* 0.00980 0.28400 0.46460 1.00000 0.00890 Mn3* -0.00360 0.30620 0.46550 0.25000 0.01100 Mn3** 0.02470 0.26440 0.46110 0.13000 0.00990 Na 0.00900 -0.00850 -0.01620 0.10000 0.02610 Ca 0.00900 -0.00850 -0.01620 0.03000 0.02610 Ca 0.26053 0.37624 0.49935 1.00000 ? O1 0.49250 0.27290 0.28940 1.00000 ? O2 0.40530 0.33700 0.10780 1.00000 ? O3 0.31710 0.20100 0.22720 1.00000 ? O4 0.33010 0.38490 0.30120 1.00000 ? O5 0.16370 0.54550 0.25610 1.00000 ? O6 0.14890 0.36370 0.18150 1.00000 ? O7 0.09180 0.40770 0.38390 1.00000 ? O8 -0.01480 0.46780 0.21010 1.00000 ? O9 0.18910 0.20410 0.42130 1.00000 ? O10 0.35030 0.18930 0.54130 1.00000 ? O11 0.19970 0.05220 0.55790 1.00000 ? O12 0.32270 0.04930 0.39710 1.00000 ? O13 -0.02790 0.11840 0.49100 1.00000 ? H1 0.00300 0.08200 0.55700 1.00000 0.05390 H2 0.00200 0.08100 0.42500 1.00000 0.05390 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 P1 0.00930 0.00710 0.00610 0.00020 -0.00040 -0.00080 P2 0.01040 0.00720 0.00730 -0.00020 -0.00110 0.00040 P3 0.01370 0.00700 0.00690 -0.00050 -0.00010 0.00000 Mn1 0.01190 0.00870 0.01280 0.00090 0.00130 0.00200 Mg1 0.01190 0.00870 0.01280 0.00090 0.00130 0.00200 Fe1 0.01190 0.00870 0.01280 0.00090 0.00130 0.00200 Zn1 0.01190 0.00870 0.01280 0.00090 0.00130 0.00200 Fe2 0.00930 0.00680 0.00620 -0.00050 0.00000 -0.00040 Mg2 0.00930 0.00680 0.00620 -0.00050 0.00000 -0.00040 Al2 0.00930 0.00680 0.00620 -0.00050 0.00000 -0.00040 Ca 0.01390 0.00980 0.00880 -0.00150 0.00010 0.00130 O1 0.01190 0.01570 0.01170 0.00250 -0.00260 -0.00040 O2 0.01770 0.01370 0.00750 0.00140 0.00130 0.00110 O3 0.01370 0.00850 0.01650 -0.00220 -0.00080 -0.00130 O4 0.01200 0.01140 0.01080 0.00030 0.00100 -0.00300 O5 0.01560 0.00750 0.01270 -0.00170 -0.00020 0.00030 O6 0.01420 0.00950 0.01320 0.00140 0.00020 -0.00310 O7 0.02110 0.01490 0.00950 -0.00510 -0.00290 0.00370 O8 0.01170 0.01790 0.01630 0.00290 -0.00290 -0.00040 O9 0.02050 0.00970 0.01100 0.00320 0.00020 0.00100 O10 0.01940 0.01500 0.01220 -0.00700 -0.00040 -0.00210 O11 0.01790 0.01090 0.01060 -0.00320 -0.00060 0.00160 O12 0.02350 0.01560 0.00960 0.00650 -0.00190 -0.00160 O13 0.02130 0.02830 0.01480 0.00460 0.00100 0.00620