data_global _chemical_name_mineral 'Matioliite' loop_ _publ_author_name 'Atencio D' 'Coutinho J M V' 'Mascarenhas Y P' 'Ellena J A' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 1932 _journal_page_last 1936 _publ_section_title ; Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel, Minas Gerais, Brazil, and other occurrences Sample: T = 120 K ; _database_code_amcsd 0004259 _chemical_compound_source 'Gentil mine, Mendes Pimentel, Minas Gerais, Brazil' _chemical_formula_sum 'Na (Mg.9 Fe.1) Al5 P4 O24 H10' _cell_length_a 25.075 _cell_length_b 5.0470 _cell_length_c 13.4370 _cell_angle_alpha 90 _cell_angle_beta 110.97 _cell_angle_gamma 90 _cell_volume 1587.872 _exptl_crystal_density_diffrn 2.942 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Na 0.00000 0.64880 0.25000 1.00000 0.02900 Mg 0.25000 0.75000 0.50000 0.90000 0.01900 Fe 0.25000 0.75000 0.50000 0.10000 0.03100 Al1 0.00000 0.50000 0.50000 1.00000 0.02200 Al3 0.15180 0.48270 0.60990 1.00000 0.02200 Al4 0.14120 0.72340 0.35180 1.00000 0.02000 P1 0.21610 0.23410 0.32810 1.00000 0.02000 P2 0.08070 0.22450 0.39510 1.00000 0.02100 O1 0.09180 0.44500 0.32700 1.00000 0.02500 O2 0.08050 0.95590 0.34220 1.00000 0.02300 O3 0.02130 0.27660 0.40180 1.00000 0.02500 O4 0.12580 0.22150 0.50730 1.00000 0.02400 O5 0.16830 0.71540 0.50980 1.00000 0.02200 O6 0.20870 0.49480 0.38140 1.00000 0.02300 O7 0.19720 0.00020 0.38260 1.00000 0.02300 O8 0.12940 0.74810 0.20540 1.00000 0.02300 O9 0.17560 0.24400 0.21130 1.00000 0.02400 O10 0.27750 0.19040 0.34110 1.00000 0.02600 O11 0.07480 0.62820 0.56450 1.00000 0.02500 O12 -0.02140 0.77810 0.39720 1.00000 0.02600 H5 0.16270 0.81430 0.54530 1.00000 0.03300 H8 0.14170 0.86470 0.19730 1.00000 0.03400 H11 0.07230 0.72900 0.60160 1.00000 0.03800 H12A -0.01090 0.91880 0.38950 1.00000 0.03800 H12B -0.06180 0.76430 0.35880 1.00000 0.03800 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 Na 0.02800 0.02800 0.03000 0.00000 0.01100 0.00000 Mg 0.01900 0.02200 0.02100 0.00000 0.01100 0.00500 Fe 0.04000 0.00500 0.03900 -0.00200 0.00200 -0.01300 Al1 0.02400 0.01700 0.02800 0.00000 0.01100 -0.00100 Al3 0.02400 0.01600 0.02600 -0.00100 0.01000 -0.00100 Al4 0.02400 0.01400 0.02400 -0.00100 0.01000 0.00000 P1 0.02500 0.01300 0.02400 0.00000 0.01000 0.00100 P2 0.02400 0.01500 0.02600 0.00000 0.01000 -0.00100 O1 0.03100 0.01500 0.02900 -0.00300 0.01300 0.00100 O2 0.02900 0.01400 0.02800 -0.00200 0.01300 -0.00200 O3 0.02500 0.02100 0.02800 -0.00100 0.01000 -0.00300 O4 0.02700 0.01600 0.02800 0.00100 0.00900 0.00000 O5 0.02800 0.01600 0.02600 0.00000 0.01200 0.00000 O6 0.02700 0.01400 0.02800 0.00100 0.01100 -0.00100 O7 0.02700 0.01600 0.02800 -0.00200 0.01100 0.00200 O8 0.02600 0.01600 0.02600 -0.00200 0.00900 0.00200 O9 0.02600 0.01700 0.02800 -0.00100 0.00800 -0.00100 O10 0.02800 0.02000 0.03100 0.00000 0.01300 -0.00100 O11 0.02700 0.01700 0.03200 -0.00200 0.01100 -0.00400 O12 0.02600 0.01900 0.03000 -0.00200 0.00900 0.00200