data_global _chemical_name_mineral 'Arsenoflorencite-(La)' loop_ _publ_author_name 'Mills S J' 'Nestola F' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 975 _journal_page_last 985 _publ_section_title ; Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 5.7 GPa ; _database_code_amcsd 0019920 _chemical_compound_source 'Grupendity Lake cirque, Komi Republic, Russia' _chemical_formula_sum 'La (Al2.85 Fe.15) (As1.86 P.14) O14 H6' _cell_length_a 6.9538 _cell_length_b 6.9538 _cell_length_c 16.2436 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 680.232 _exptl_crystal_density_diffrn 4.379 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 La 0.00000 0.00000 0.00000 1.00000 0.01610 Al 0.50000 0.00000 0.50000 0.95000 0.01570 Fe 0.50000 0.00000 0.50000 0.05000 0.01570 As 0.00000 0.00000 0.31695 0.93000 0.01330 P 0.00000 0.00000 0.31695 0.07000 0.01330 O1 0.00000 0.00000 0.58270 1.00000 0.01800 O2 0.20390 -0.20390 -0.05180 1.00000 0.01600 O-H3 0.12610 -0.12610 0.13860 1.00000 0.00960 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 La 0.01630 0.01630 0.01560 0.00820 0.00000 0.00000 Al 0.01800 0.01800 0.01100 0.00910 0.00110 0.00200 Fe 0.01800 0.01800 0.01100 0.00910 0.00110 0.00200 As 0.01300 0.01300 0.01410 0.00650 0.00000 0.00000 P 0.01300 0.01300 0.01410 0.00650 0.00000 0.00000 O1 0.00600 0.00600 0.04400 0.00300 0.00000 0.00000 O2 0.02000 0.02000 0.01200 0.01300 -0.00300 0.00300 O-H3 0.01300 0.01300 0.00700 0.00000 0.00070 -0.00070