data_global _chemical_name_mineral 'Bernardevansite' loop_ _publ_author_name 'Yang H' 'Gu X' 'Jenkins R A' 'Gibbs R B' 'Downs R T' _journal_name_full 'Mineralogical Magazine' _journal_volume 87 _journal_year 2023 _journal_page_first 1 _journal_page_last 8 _publ_section_title ; Bernardevansite, Al2(Se4+O3)3*6H2O, dimorphous with alfredopetrovite and the Al-analogue of mandarinoite, from the El Dragon mine, Potosi, Bolivia ; _database_code_amcsd 0021206 _chemical_compound_source 'El Dragon mine, Potosi, Bolivia' _chemical_formula_sum '(Al1.208 Fe.792) Se3 O15' _cell_length_a 16.50160 _cell_length_b 7.77033 _cell_length_c 9.85241 _cell_angle_alpha 90 _cell_angle_beta 98.258 _cell_angle_gamma 90 _cell_volume 1250.206 _exptl_crystal_density_diffrn 2.942 _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 Al1 0.39931 0.74117 0.90754 0.69200 0.01547 Fe1 0.39931 0.74117 0.90754 0.30800 0.01547 Al2 0.90506 0.24015 0.04689 0.51600 0.01409 Fe2 0.90506 0.24015 0.04689 0.48400 0.01409 Se1 0.98068 0.03893 0.31646 1.00000 0.01600 Se2 0.22324 0.72432 0.72881 1.00000 0.01626 Se3 0.52831 0.48070 0.81382 1.00000 0.01644 O1 0.98100 0.21292 0.42122 1.00000 0.02050 O2 0.07750 -0.03456 0.36795 1.00000 0.01982 O3 0.99751 0.13689 0.16902 1.00000 0.02073 O4 0.31619 -0.17993 0.76481 1.00000 0.02003 O5 0.19048 -0.17035 0.57823 1.00000 0.01981 O6 0.16883 -0.16359 0.83139 1.00000 0.02188 O7 0.52084 0.37909 0.66117 1.00000 0.02158 O8 0.42967 0.54938 0.79903 1.00000 0.01816 O9 0.47741 0.67999 0.06857 1.00000 0.01964 O10 0.31907 -0.42567 0.96410 1.00000 0.02047 O11 0.36093 -0.08497 0.02605 1.00000 0.02400 O12 0.88655 0.01172 -0.04343 1.00000 0.02209 O13 0.64044 0.76237 0.07539 1.00000 0.03109 O14 0.25271 0.31324 0.19373 1.00000 0.04680 O15 0.17699 0.24489 0.42524 1.00000 0.03508 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 Al1 0.01212 0.01898 0.01545 0.00016 0.00249 0.00147 Fe1 0.01212 0.01898 0.01545 0.00016 0.00249 0.00147 Al2 0.01032 0.01890 0.01344 -0.00039 0.00308 0.00080 Fe2 0.01032 0.01890 0.01344 -0.00039 0.00308 0.00080 Se1 0.01325 0.01977 0.01485 -0.00036 0.00157 0.00133 Se2 0.01317 0.01988 0.01579 -0.00048 0.00226 0.00055 Se3 0.01355 0.01976 0.01604 0.00022 0.00222 0.00080 O1 0.01539 0.02353 0.02355 -0.00216 0.00605 -0.00501 O2 0.01336 0.02147 0.02356 0.00073 -0.00099 0.00495 O3 0.01531 0.03231 0.01471 -0.00201 0.00261 0.00358 O4 0.01578 0.02618 0.01755 -0.00330 0.00038 -0.00003 O5 0.01478 0.03034 0.01484 -0.00198 0.00395 0.00073 O6 0.01743 0.02805 0.02108 0.00226 0.00589 0.00144 O7 0.01838 0.02878 0.01744 0.00261 0.00206 -0.00153 O8 0.01558 0.02246 0.01626 0.00524 0.00164 0.00109 O9 0.01859 0.02250 0.01758 0.00153 0.00167 0.00573 O10 0.01613 0.02218 0.02357 0.00270 0.00445 0.00280 O11 0.02700 0.02095 0.02291 -0.00178 -0.00038 0.00274 O12 0.01840 0.02708 0.02173 0.00295 0.00607 -0.00200 O13 0.02720 0.02446 0.04309 -0.00023 0.01008 0.00468 O14 0.06455 0.03583 0.04126 0.00680 0.01186 0.00251 O15 0.02312 0.03583 0.04726 -0.00601 0.00840 -0.01234