data_global _chemical_name_mineral 'Halotrichite' loop_ _publ_author_name 'Lovas G A' _journal_name_full 'Acta Geologica Hungarica' _journal_volume 29 _journal_year 1986 _journal_page_first 389 _journal_page_last 398 _publ_section_title ; Structural study of halotrichite from Recsk (Matra Mts., N-Hungary) ; _database_code_amcsd 0011972 _chemical_compound_source 'Recsk, Matra Mountains, Hungary' _chemical_formula_sum 'Fe.99 Mg.02 Mn.01 Al1.98 S4 O38 H44' _cell_length_a 6.1954 _cell_length_b 24.262 _cell_length_c 21.262 _cell_angle_alpha 90 _cell_angle_beta 100.30 _cell_angle_gamma 90 _cell_volume 3144.448 _exptl_crystal_density_diffrn 1.881 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 _atom_site_occupancy _atom_site_U_iso_or_equiv Fe2+ 0.38500 0.59500 0.07600 0.97000 0.02913 Mg 0.38500 0.59500 0.07600 0.02000 0.02913 Mn 0.38500 0.59500 0.07600 0.01000 0.02913 Al1 0.42000 0.61600 0.41100 0.99000 0.02913 Fe3+1 0.42000 0.61600 0.41100 0.01000 0.02913 Al2 0.70700 0.33500 0.19500 0.99000 0.02913 Fe3+2 0.70700 0.33500 0.19500 0.01000 0.02913 S1 0.08700 0.24400 0.50500 1.00000 0.02913 S2 0.96500 0.47500 0.37600 1.00000 0.02913 S3 0.12300 0.19400 0.24200 1.00000 0.02913 S4 0.14500 0.47700 0.09400 1.00000 0.02913 O1 0.33300 0.51900 0.11500 1.00000 0.02913 Wat2 0.72500 0.59000 0.11900 1.00000 0.02913 Wat3 0.34300 0.63500 0.16400 1.00000 0.02913 Wat4 0.45600 0.67400 0.03700 1.00000 0.02913 Wat5 0.06300 0.60700 0.04300 1.00000 0.02913 Wat6 0.41600 0.55600 -0.01000 1.00000 0.02913 Wat7 0.47800 0.55300 0.36000 1.00000 0.02913 Wat8 0.12900 0.62100 0.37700 1.00000 0.02913 Wat9 0.51400 0.66200 0.35300 1.00000 0.02913 Wat10 0.35500 0.67900 0.46200 1.00000 0.02913 Wat11 0.70800 0.61200 0.44600 1.00000 0.02913 Wat12 0.33300 0.56900 0.47000 1.00000 0.02913 Wat13 0.55500 0.32100 0.11000 1.00000 0.02913 Wat14 0.96000 0.30700 0.17500 1.00000 0.02913 Wat15 0.62200 0.26300 0.21200 1.00000 0.02913 Wat16 0.86000 0.34900 0.27800 1.00000 0.02913 Wat17 0.45000 0.36100 0.21200 1.00000 0.02913 Wat18 0.79000 0.40600 0.17600 1.00000 0.02913 O19 0.13100 0.22400 0.44200 1.00000 0.02913 O20 -0.02500 0.30200 0.50600 1.00000 0.02913 O21 -0.09200 0.21100 0.54100 1.00000 0.02913 O22 0.28600 0.24000 0.53600 1.00000 0.02913 O23 0.01200 0.42300 0.31200 1.00000 0.02913 O24 0.90500 0.52900 0.35500 1.00000 0.02913 O25 0.16600 0.46500 0.41400 1.00000 0.02913 O26 0.78700 0.44500 0.39900 1.00000 0.02913 O27 0.10500 0.18500 0.30700 1.00000 0.02913 O28 0.20200 0.25500 0.23300 1.00000 0.02913 O29 -0.09900 0.17800 0.21100 1.00000 0.02913 O30 0.27300 0.16200 0.21300 1.00000 0.02913 O31 0.14600 0.46100 0.16100 1.00000 0.02913 O32 0.21200 0.42900 0.05000 1.00000 0.02913 O33 -0.07500 0.48900 0.10200 1.00000 0.02913 Wat34 0.68800 0.25300 0.34400 1.00000 0.02913 Wat35 0.31100 0.52500 0.28000 1.00000 0.02913 Wat36 0.67900 0.49500 0.17900 1.00000 0.02913 Wat37 0.41600 0.43400 0.35800 1.00000 0.02913 Wat38 0.39800 0.27700 0.41300 1.00000 0.02913