data_global _chemical_name_mineral 'Direnzoite' loop_ _publ_author_name 'Galli E' 'Gualtieri A F' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 95 _journal_page_last 102 _publ_section_title ; Direnzoite, [NaK6MgCa2(Al13Si47O120)*36H2O], a new zeolite from Massif Central (France): Description and crystal structure Note: changed O11(y) sign ; _database_code_amcsd 0004494 _chemical_compound_source 'Massif Central, France' _chemical_formula_sum 'Na.47 K3 Mg.72 Ca1.12 (Al7.657 Si22.343) O78.37 H36.74' _cell_length_a 7.57887 _cell_length_b 18.20098 _cell_length_c 26.15387 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3607.739 _exptl_crystal_density_diffrn 2.132 _symmetry_space_group_name_H-M 'P m m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,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 Na 0.25000 0.25000 0.27888 0.47000 0.02600 K1 0.00000 0.00000 0.00000 0.62000 0.10900 K2 0.25000 0.75000 0.44103 0.58000 0.09300 K3 0.25000 0.10243 0.72780 0.59000 0.11600 Mg 0.25000 0.25000 0.09106 0.72000 0.03500 Ca 0.10841 0.65747 0.31287 0.28000 0.10000 AlT1 -0.25000 0.15917 -0.00519 0.34930 0.01700 SiT1 -0.25000 0.15917 -0.00519 0.65070 0.01700 AlT2 -0.25000 0.07632 0.10297 0.32870 0.01700 SiT2 -0.25000 0.07632 0.10297 0.67130 0.01700 AlT3 -0.25000 0.15851 0.21054 0.32190 0.01700 SiT3 -0.25000 0.15851 0.21054 0.67810 0.01700 AlT4 0.04716 0.16887 -0.09235 0.48630 0.01700 SiT4 0.04716 0.16887 -0.09235 0.51370 0.01700 AlT5 0.05351 -0.02727 0.14743 0.34930 0.01700 SiT5 0.05351 -0.02727 0.14743 0.65070 0.01700 AlT6 0.04478 0.05500 0.24977 0.39720 0.01700 SiT6 0.04478 0.05500 0.24977 0.60280 0.01700 AlT7 0.25000 0.16917 0.40021 0.04790 0.01700 SiT7 0.25000 0.16917 0.40021 0.95210 0.01700 AlT8 0.25000 0.16590 0.52188 0.09590 0.01700 SiT8 0.25000 0.16590 0.52188 0.90410 0.01700 AlT9 -0.04543 0.05520 0.36417 0.10270 0.01700 SiT9 -0.04543 0.05520 0.36417 0.89730 0.01700 AlT10 0.04706 -0.05395 0.45362 0.00680 0.01700 SiT10 0.04706 -0.05395 0.45362 0.99320 0.01700 O1 -0.25000 0.25000 0.01306 1.00000 0.01400 O2 -0.25000 0.10969 0.04540 1.00000 0.01400 O3 -0.25000 0.14311 0.14804 1.00000 0.01400 O4 -0.25000 0.25000 0.21987 1.00000 0.01400 O5 -0.08536 0.14050 -0.04385 1.00000 0.01400 O6 -0.08090 0.02192 0.11231 1.00000 0.01400 O7 -0.06629 0.13244 0.23690 1.00000 0.01400 O8 -0.01703 0.25000 -0.11638 1.00000 0.01400 O9 -0.02128 -0.00640 0.20486 1.00000 0.01400 O10 0.25000 0.15049 -0.07257 1.00000 0.01400 O11 0.25000 0.00061 0.12986 1.00000 0.01400 O12 0.25000 0.07925 0.24525 1.00000 0.01400 O13 0.00266 0.11603 -0.14215 1.00000 0.01400 O14 -0.01502 0.02533 0.30641 1.00000 0.01400 O15 0.25000 0.25000 0.37502 1.00000 0.01400 O16 0.25000 0.25000 0.54114 1.00000 0.01400 O17 0.25000 0.15537 0.46062 1.00000 0.01400 O18 0.09305 0.12202 0.37500 1.00000 0.01400 O19 0.07556 0.12495 0.54309 1.00000 0.01400 O20 0.01799 -0.01390 0.39874 1.00000 0.01400 O21 0.00000 0.00000 0.50000 1.00000 0.01400 O22 -0.25000 0.05489 0.37670 1.00000 0.01400 O23 -0.25000 0.07432 0.54272 1.00000 0.01400 Wat1 -0.01826 0.25000 0.10661 0.86000 0.02300 Wat2 0.25000 0.11005 0.02455 0.99000 0.09600 Wat3 0.49895 0.25000 0.30815 1.00000 0.02300 Wat4 -0.04389 0.75000 0.36633 1.00000 0.11300 Wat5 0.25000 0.14169 0.12275 0.97000 0.05000 Wat6 0.75000 0.25000 0.45418 0.52000 0.11700 Wat7 0.25000 0.25000 0.18582 0.75000 0.03800 Wat8 0.25000 0.25000 0.00702 1.00000 0.13600 Wat9 0.50220 0.75000 0.22445 1.00000 0.10200 Wat10 0.75000 0.65040 0.33093 0.40000 0.15700 Wat11 0.75000 0.25000 0.35258 1.00000 0.08800 Wat12 0.75000 -0.18101 0.24579 0.40000 0.14900 Wat13 0.25000 0.75000 0.28560 1.00000 0.05000 Wat14 0.25000 0.65560 0.22310 0.43000 0.02500