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 = 1.6 GPa ; _database_code_amcsd 0019918 _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 7.0147 _cell_length_b 7.0147 _cell_length_c 16.4461 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 700.829 _exptl_crystal_density_diffrn 4.250 _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 0.01380 Al 0.50000 0.00000 0.50000 0.95000 0.01560 Fe 0.50000 0.00000 0.50000 0.05000 0.01560 As 0.00000 0.00000 0.31550 0.93000 0.01130 P 0.00000 0.00000 0.31550 0.07000 0.01130 O1 0.00000 0.00000 0.58410 1.00000 0.01500 O2 0.20410 -0.20410 -0.05560 1.00000 0.01000 O-H3 0.12380 -0.12380 0.13820 1.00000 0.00880 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 0.01380 0.01380 0.01370 0.00690 0.00000 0.00000 Al 0.01500 0.01500 0.01600 0.00730 0.00040 0.00100 Fe 0.01500 0.01500 0.01600 0.00730 0.00040 0.00100 As 0.01010 0.01010 0.01380 0.00500 0.00000 0.00000 P 0.01010 0.01010 0.01380 0.00500 0.00000 0.00000 O1 0.01500 0.01500 0.01600 0.00800 0.00000 0.00000 O2 0.00900 0.00900 0.01700 0.00800 -0.00170 0.00170 O-H3 0.01000 0.01000 0.01100 0.00800 0.00100 -0.00100