data_global _chemical_name_mineral 'Ardennite-(As)' loop_ _publ_author_name 'Nagashima M' 'Armbruster T' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 55 _journal_page_last 71 _publ_section_title ; Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates ; _database_code_amcsd 0019900 _chemical_compound_source 'Salm-Chateau, Ardennes, Belgium' _chemical_formula_sum '(Mn3.31 Ca.69) Al5.022 Mg.84 Cu.07 V.195 Si5.04 As.833 O28 H6' _cell_length_a 8.7163 _cell_length_b 5.8131 _cell_length_c 18.5199 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 938.380 _exptl_crystal_density_diffrn 3.673 _symmetry_space_group_name_H-M 'P n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,1/2-y,z' '-x,1/2+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 MnA1 0.94486 0.25000 0.15532 0.79000 0.01014 CaA1 0.94486 0.25000 0.15532 0.21000 0.01014 MnA2 0.39566 0.75000 0.15998 0.86500 0.00949 CaA2 0.39566 0.75000 0.15998 0.13500 0.00949 AlM1 0.00000 0.00000 0.00000 1.00000 0.00570 AlM2 0.50000 0.00000 0.00000 1.00000 0.00698 AlM3 0.67916 -0.00151 0.25000 0.51100 0.00767 MgM3 0.67916 -0.00151 0.25000 0.42000 0.00767 CuM3 0.67916 -0.00151 0.25000 0.03500 0.00767 VM3 0.67916 -0.00151 0.25000 0.03400 0.00767 SiT1 0.76474 0.75000 0.09695 1.00000 0.00363 SiT2 0.27693 0.25000 0.09523 1.00000 0.00626 SiT3 0.34294 0.25000 0.25000 1.00000 0.00808 AsT4 0.04243 0.75000 0.25000 0.83300 0.00637 VT4 0.04243 0.75000 0.25000 0.12700 0.00637 SiT4 0.04243 0.75000 0.25000 0.04000 0.00637 O1 0.12881 0.02530 -0.08282 1.00000 0.00851 O2 0.62411 -0.01905 -0.08292 1.00000 0.00852 O3 0.11086 0.25000 0.05260 1.00000 0.00880 O4 0.61717 0.75000 0.04181 1.00000 0.00840 O5 0.92758 -0.00810 0.25000 1.00000 0.01230 O6 0.44487 0.01100 0.25000 1.00000 0.01220 O7 0.68104 0.75000 0.17757 1.00000 0.01150 O8 0.22317 0.25000 0.18086 1.00000 0.01010 O9 0.15183 0.75000 0.17639 1.00000 0.01350 O10 0.11259 0.75000 0.03231 1.00000 0.00790 O11 0.61341 0.25000 0.03609 1.00000 0.00800 O12 0.69784 0.25000 0.18253 1.00000 0.01250 H10 0.12600 0.75000 0.08450 1.00000 0.05000 H11 0.71880 0.25000 0.01800 1.00000 0.05000 H12 0.65700 0.25000 0.13370 1.00000 0.05000 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 MnA1 0.01181 0.00971 0.00890 0.00000 0.00230 0.00000 CaA1 0.01181 0.00971 0.00890 0.00000 0.00230 0.00000 MnA2 0.01232 0.00849 0.00766 0.00000 -0.00129 0.00000 CaA2 0.01232 0.00849 0.00766 0.00000 -0.00129 0.00000 AlM1 0.00600 0.00510 0.00600 0.00041 0.00030 -0.00012 AlM2 0.00760 0.00650 0.00680 0.00010 0.00030 -0.00012 AlM3 0.01000 0.00610 0.00690 -0.00061 0.00000 0.00000 MgM3 0.01000 0.00610 0.00690 -0.00061 0.00000 0.00000 CuM3 0.01000 0.00610 0.00690 -0.00061 0.00000 0.00000 VM3 0.01000 0.00610 0.00690 -0.00061 0.00000 0.00000 SiT1 0.00320 0.00470 0.00300 0.00000 0.00001 0.00000 SiT2 0.00600 0.00680 0.00590 0.00000 -0.00004 0.00000 SiT3 0.00960 0.00780 0.00690 0.00000 0.00000 0.00000 AsT4 0.00671 0.00574 0.00666 0.00000 0.00000 0.00000 VT4 0.00671 0.00574 0.00666 0.00000 0.00000 0.00000 SiT4 0.00671 0.00574 0.00666 0.00000 0.00000 0.00000 O1 0.00880 0.00850 0.00820 -0.00080 0.00100 -0.00070 O2 0.01000 0.00790 0.00770 0.00080 0.00170 0.00070 O3 0.00710 0.01000 0.00940 0.00000 -0.00080 0.00000 O4 0.00790 0.00840 0.00910 0.00000 -0.00140 0.00000 O5 0.01280 0.00980 0.01450 0.00210 0.00000 0.00000 O6 0.01500 0.01100 0.01060 0.00180 0.00000 0.00000 O7 0.01130 0.01550 0.00770 0.00000 0.00250 0.00000 O8 0.01150 0.01230 0.00660 0.00000 0.00160 0.00000 O9 0.01180 0.01890 0.00980 0.00000 0.00180 0.00000 O10 0.00770 0.00880 0.00710 0.00000 -0.00070 0.00000 O11 0.00730 0.00940 0.00750 0.00000 0.00000 0.00000 O12 0.01090 0.01790 0.00860 0.00000 0.00050 0.00000