data_global _chemical_name_mineral 'Ferrarisite' loop_ _publ_author_name 'Catti M' 'Chiari G' 'Ferraris G' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 103 _journal_year 1980 _journal_page_first 541 _journal_page_last 546 _publ_section_title ; The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O: disorder, hydrogen bonding, and polymorphism with guerinite ; _database_code_amcsd 0012071 _chemical_compound_source 'Sainte Marie-aux-Mines, Alsace, France' _chemical_formula_sum 'Ca5 As4 O25 H16' _cell_length_a 8.294 _cell_length_b 6.722 _cell_length_c 11.198 _cell_angle_alpha 106.16 _cell_angle_beta 92.94 _cell_angle_gamma 99.20 _cell_volume 588.904 _exptl_crystal_density_diffrn 2.583 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Ca1 0.68248 0.61888 0.92486 1.00000 ? Ca2 0.14429 0.80632 0.92317 1.00000 ? Ca3 0.00000 0.00000 0.50000 1.00000 ? As1 0.52429 0.05829 0.84251 1.00000 ? As2 0.00723 0.26663 0.83694 1.00000 ? O1 0.49770 0.29860 0.92070 1.00000 ? O2 0.65620 -0.03600 0.91970 1.00000 ? O3 0.34590 -0.11160 0.79340 1.00000 ? O-h4 0.59640 0.06660 0.70060 1.00000 ? O5 0.15010 0.44930 0.80800 1.00000 ? O6 0.08470 0.15220 0.93890 1.00000 ? O7 -0.14650 0.37210 0.90660 1.00000 ? O8 -0.07250 0.07640 0.70290 1.00000 ? Ow1 0.47470 0.53090 0.74430 1.00000 ? Ow2 0.89290 0.71390 0.77240 1.00000 ? Ow3 0.11050 0.36270 0.55520 1.00000 ? Ow4 0.25540 -0.05310 0.57180 1.00000 ? Wat5 0.69110 0.42880 0.56970 0.50000 ? HOh4 0.69000 0.08100 0.71200 1.00000 0.03800 Hw1 0.38100 0.47100 0.77700 1.00000 0.03800 Hw21 0.90100 0.84300 0.74700 1.00000 0.03800 Hw22 0.87600 0.59600 0.70600 1.00000 0.03800 Hw31 0.21200 0.44700 0.51400 1.00000 0.03800 Hw32 0.13300 0.42900 0.64700 1.00000 0.03800 Hw4 0.25300 -0.06800 0.65700 1.00000 0.03800 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 Ca1 0.01090 0.01120 0.01900 0.00260 0.00320 0.00520 Ca2 0.01210 0.01120 0.01500 0.00170 0.00330 0.00440 Ca3 0.02110 0.02920 0.01300 0.00490 0.00420 0.00590 As1 0.00990 0.00990 0.01370 0.00180 0.00210 0.00470 As2 0.01000 0.00950 0.01190 0.00170 0.00320 0.00420 O1 0.01380 0.00930 0.02530 0.00500 0.00700 0.00550 O2 0.01520 0.01330 0.02030 0.00480 -0.00190 0.00850 O3 0.01150 0.01600 0.01820 -0.00080 0.00130 0.00410 O-h4 0.01450 0.03540 0.01690 0.00100 0.00330 0.01050 O5 0.01980 0.01330 0.02180 -0.00020 0.00830 0.00610 O6 0.01270 0.01210 0.01530 0.00600 0.00020 0.00640 O7 0.01430 0.01540 0.02000 0.00800 0.00660 0.00630 O8 0.02120 0.01720 0.01190 0.00040 0.00260 0.00230 Ow1 0.02260 0.01900 0.02930 0.00240 0.00140 0.00870 Ow2 0.02780 0.01550 0.02370 0.00440 0.00130 0.00820 Ow3 0.06400 0.04600 0.03300 -0.01700 0.00100 0.01400 Ow4 0.04100 0.13200 0.03200 0.04300 0.00400 0.02800 Wat5 0.05700 0.01900 0.03000 0.00200 0.03000 0.00600