data_global _chemical_name_mineral 'Howardevansite' loop_ _publ_author_name 'Hughes J M' 'Drexler J W' 'Campana C F' 'Malinconico M L' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 181 _journal_page_last 186 _publ_section_title ; Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure Note: Displacement ellipsoid for Na1 is not positive-definite ; _database_code_amcsd 0001138 _chemical_formula_sum 'Cu2 Fe4 V6 Na2 O24' _cell_length_a 8.198 _cell_length_b 9.773 _cell_length_c 6.6510 _cell_angle_alpha 103.82 _cell_angle_beta 101.99 _cell_angle_gamma 106.74 _cell_volume 473.098 _exptl_crystal_density_diffrn 3.812 _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 Cu 0.78675 0.79562 0.77650 1.00000 Fe1 0.54817 0.39238 0.11910 1.00000 Fe2 0.29616 0.98522 0.45530 1.00000 V1 0.41010 0.66723 0.38930 1.00000 V2 0.83830 0.73926 0.27550 1.00000 V3 0.77100 0.12589 0.09130 1.00000 Na1 0.00000 0.50000 0.50000 1.00000 Na2 0.02340 0.55090 -0.01600 0.50000 O1 0.44500 0.85700 0.42010 1.00000 O2 0.48210 0.35020 0.37130 1.00000 O3 0.80140 0.55560 0.26370 1.00000 O4 0.22010 0.16420 0.50350 1.00000 O5 0.27290 0.00750 0.15990 1.00000 O6 0.47290 0.57940 0.17010 1.00000 O7 0.72870 0.74210 0.02440 1.00000 O8 0.05520 0.82100 0.31840 1.00000 O9 0.19810 0.58000 0.33850 1.00000 O10 0.99070 0.23650 0.18970 1.00000 O11 0.71760 0.03610 0.26740 1.00000 O12 0.65920 0.24440 0.06780 1.00000 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 Cu 0.01890 0.03097 0.01387 0.01499 0.00925 0.01455 Fe1 0.01053 0.00865 0.00771 0.00488 0.00398 0.00402 Fe2 0.01053 0.00949 0.01002 0.00404 0.00375 0.00388 V1 0.00939 0.00582 0.00674 0.00337 0.00340 0.00263 V2 0.00825 0.00741 0.00578 0.00337 0.00340 0.00249 V3 0.00825 0.00773 0.00559 0.00387 0.00351 0.00319 Na1 0.00740 0.12516 0.09901 0.03873 0.03372 0.11278 Na2 0.02533 0.05182 0.01599 0.02189 -0.00808 -0.00970 O1 0.00626 0.00678 0.01136 0.00421 0.00234 0.00194 O2 0.01366 0.01355 0.00944 0.00371 0.00468 0.00623 O3 0.01594 0.01315 0.01657 0.00707 0.00702 0.00623 O4 0.01736 0.01435 0.00771 0.01044 0.00702 0.00707 O5 0.01935 0.01594 0.00867 0.00960 0.00585 0.00762 O6 0.01907 0.00797 0.00616 0.00657 0.00468 0.00319 O7 0.01594 0.01555 0.01040 0.00792 0.00585 0.00651 O8 0.01138 0.01594 0.01541 -0.00101 0.00468 0.00416 O9 0.01053 0.01594 0.03082 0.00185 0.00000 0.00693 O10 0.01110 0.02431 0.01541 0.00135 0.00117 0.00693 O11 0.02248 0.01754 0.00809 0.00640 0.00702 0.00610 O12 0.01850 0.01674 0.01425 0.01213 0.00351 0.00277