data_global _chemical_name_mineral 'Sailaufite' loop_ _publ_author_name 'Wildner M' 'Tillmanns E' 'Andrut M' 'Lorenz J' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 555 _journal_page_last 564 _publ_section_title ; Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship to mitridatite-group minerals and pararobertsite ; _database_code_amcsd 0007000 _chemical_compound_source 'Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany' _chemical_formula_sum 'Ca3.434 Na2.566 Mn9 As6 C3 O48 H18' _cell_length_a 11.253 _cell_length_b 19.628 _cell_length_c 8.932 _cell_angle_alpha 90 _cell_angle_beta 100.05 _cell_angle_gamma 90 _cell_volume 1942.574 _exptl_crystal_density_diffrn 3.356 _symmetry_space_group_name_H-M 'C 1 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-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 CaA1* 0.21795 0.15628 0.92550 0.20700 0.01420 NaA1* 0.21795 0.15628 0.92550 0.79300 0.01420 CaA2* 0.75530 0.00000 0.92540 0.04600 0.01300 NaA2* 0.75530 0.00000 0.92540 0.95400 0.01300 CaA3* 0.97944 0.17535 0.58638 0.98700 0.01150 NaA3* 0.97944 0.17535 0.58638 0.01300 0.01150 Ca4 0.51193 0.00000 0.58640 1.00000 0.01120 Mn1 0.62816 0.00000 0.25465 1.00000 0.00610 Mn2 0.10012 0.16687 0.24963 1.00000 0.00534 Mn3 0.34947 0.24145 0.25145 1.00000 0.00522 Mn4 0.86236 0.08735 0.24994 1.00000 0.00550 Mn5 0.36306 0.07965 1.25199 1.00000 0.00544 As1 0.83715 0.00000 0.53900 1.00000 0.00691 As2 0.42147 0.00000 0.97103 1.00000 0.00821 As3 0.30697 0.15817 0.53815 1.00000 0.00754 As4 0.89143 0.17537 0.96652 1.00000 0.00767 C1 0.10380 0.00000 0.23280 1.00000 0.01150 C2 0.11070 0.33360 0.26030 1.00000 0.00670 Ow1 0.19240 0.00000 0.60780 1.00000 0.01740 Ow2 0.52880 0.16292 0.91000 1.00000 0.02350 O1 0.87470 0.00000 0.72490 1.00000 0.01110 O2* 0.68770 0.00000 0.47700 1.00000 0.01000 O3 0.89390 0.07107 0.46850 1.00000 0.00900 O4 0.35730 0.06936 1.03710 1.00000 0.00850 O5 0.40580 0.00000 0.78470 1.00000 0.01290 O6 0.57100 0.00000 0.04090 1.00000 0.00930 O7 0.32530 0.15729 0.72340 1.00000 0.01450 O8 0.15610 0.15711 0.46570 1.00000 0.00970 O9 0.36940 0.22778 0.47280 1.00000 0.00800 O10 0.37300 0.08885 0.47150 1.00000 0.00980 O11 0.83220 0.10483 1.03690 1.00000 0.01040 O12 1.04190 0.17590 1.03430 1.00000 0.00970 O13 0.83020 0.24504 1.03790 1.00000 0.01070 O14 0.85750 0.17604 0.77960 1.00000 0.01240 O15 0.25980 0.15674 0.21320 1.00000 0.00470 O16 0.43780 0.32466 0.29330 1.00000 0.00690 O17 0.78960 0.00000 0.21260 1.00000 0.00570 O18 0.46660 0.00000 1.29660 1.00000 0.00660 O19 0.04910 0.05692 0.23360 1.00000 0.01030 O20 0.16370 0.27526 0.26380 1.00000 0.01110 O21 0.22200 0.00000 0.25070 1.00000 0.01010 O22 -0.00470 0.33592 0.24890 1.00000 0.01200 O23 0.17230 0.38808 0.26530 1.00000 0.01280 O24 0.07560 0.08830 0.75980 1.00000 0.01560 O25 0.63920 0.08056 0.73860 1.00000 0.02080 O26 1.12090 0.24690 0.74180 1.00000 0.02070 H11 0.15900 0.03770 0.57400 0.66667 0.05700 H12 0.26500 0.00000 0.65800 0.66667 0.05700 H21 0.47400 0.13300 0.85200 1.00000 0.05700 H22 0.51200 0.17000 0.99600 1.00000 0.05700 H241 0.09600 0.03800 0.72700 1.00000 0.05700 H242 -0.00700 0.07000 0.75500 1.00000 0.05700 H251 0.70000 0.10700 0.70300 1.00000 0.05700 H252 0.60700 0.10200 0.80600 1.00000 0.05700 H261 1.10400 0.27300 0.81700 1.00000 0.05700 H262 1.17500 0.26200 0.69600 1.00000 0.05700 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 CaA1* 0.01280 0.01890 0.01090 -0.00070 0.00190 -0.00050 NaA1* 0.01280 0.01890 0.01090 -0.00070 0.00190 -0.00050 CaA2* 0.01860 0.01200 0.00820 0.00000 0.00190 0.00000 NaA2* 0.01860 0.01200 0.00820 0.00000 0.00190 0.00000 CaA3* 0.01210 0.01050 0.01170 0.00080 0.00160 -0.00020 NaA3* 0.01210 0.01050 0.01170 0.00080 0.00160 -0.00020 Ca4 0.01090 0.01280 0.01020 0.00000 0.00290 0.00000 Mn1 0.00440 0.00780 0.00630 0.00000 0.00150 0.00000 Mn2 0.00280 0.00660 0.00660 0.00013 0.00060 0.00016 Mn3 0.00500 0.00460 0.00590 -0.00180 0.00060 -0.00040 Mn4 0.00610 0.00360 0.00670 -0.00120 0.00090 0.00060 Mn5 0.00620 0.00440 0.00590 0.00140 0.00140 -0.00040 As1 0.00720 0.00660 0.00700 0.00000 0.00130 0.00000 As2 0.00850 0.00870 0.00770 0.00000 0.00230 0.00000 As3 0.00760 0.00750 0.00750 -0.00030 0.00140 0.00011 As4 0.00800 0.00780 0.00730 0.00072 0.00170 0.00029 C1 0.00500 0.00200 0.03000 0.00000 0.00700 0.00000 C2 0.00730 0.01170 0.00100 -0.00030 -0.00050 -0.00070 Ow1 0.01400 0.02000 0.01800 0.00000 0.00400 0.00000 Ow2 0.02100 0.02500 0.02500 -0.00010 0.00700 0.00040 O1 0.01200 0.01500 0.00600 0.00000 0.00000 0.00000 O2* 0.00150 0.01500 0.01500 0.00000 0.00600 0.00000 O3 0.01010 0.01010 0.00500 -0.00450 -0.00260 0.00130 O4 0.01150 0.00750 0.00640 0.00350 0.00060 0.00140 O5 0.01500 0.01800 0.00500 0.00000 0.00000 0.00000 O6 0.00800 0.01200 0.00900 0.00000 0.00500 0.00000 O7 0.01140 0.02320 0.00900 0.00310 0.00200 -0.00030 O8 0.00430 0.01390 0.01100 -0.00330 0.00030 0.00040 O9 0.00950 0.00780 0.00720 -0.00220 0.00280 0.00270 O10 0.01180 0.00900 0.00800 0.00710 0.00130 -0.00120 O11 0.01470 0.00860 0.00800 -0.00550 0.00190 0.00120 O12 0.00800 0.01760 0.00200 -0.00010 -0.00240 -0.00090 O13 0.01350 0.01090 0.00900 0.00320 0.00450 -0.00020 O14 0.01550 0.01580 0.00600 0.00010 0.00250 -0.00040 O15 0.00260 0.00580 0.00500 0.00010 -0.00110 0.00070 O16 0.00680 0.00410 0.01100 0.00080 0.00410 -0.00070 O17 0.00470 0.00510 0.00600 0.00000 -0.00230 0.00000 O18 0.00500 0.00500 0.00900 0.00000 0.00000 0.00000 O19 0.00560 0.00710 0.01800 0.00160 0.00280 -0.00010 O20 0.00770 0.00600 0.01900 -0.00020 0.00060 0.00150 O21 0.00100 0.00800 0.02100 0.00000 0.00300 0.00000 O22 0.00420 0.00750 0.02400 0.00180 0.00090 0.00190 O23 0.00940 0.00630 0.02300 0.00000 0.00420 -0.00230 O24 0.01600 0.01600 0.01300 0.00030 -0.00010 -0.00120 O25 0.01660 0.02050 0.02500 -0.00150 0.00330 -0.00800 O26 0.01400 0.01670 0.03100 -0.00740 0.00370 -0.01120