data_global _chemical_name_mineral 'Monteregianite-(Y)' loop_ _publ_author_name 'Ghose S' 'Sen Gupta P K' 'Campana C F' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 365 _journal_page_last 374 _publ_section_title ; Symmetry and crystal structure of monteregianite, Na4K2Y2Si16O38.10H2O, a double-sheet silicate with zeolitic properties Note: Several bond lengths cannot be reproduced with this data, but the authors no longer have the original data, so they cannot check ; _database_code_amcsd 0001072 _chemical_formula_sum 'K Na1.41 Y Si8 O23.13' _cell_length_a 9.512 _cell_length_b 23.956 _cell_length_c 9.617 _cell_angle_alpha 90 _cell_angle_beta 93.85 _cell_angle_gamma 90 _cell_volume 2186.475 _exptl_crystal_density_diffrn 2.294 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 K1 0.06850 0.24880 0.57020 0.62000 K2 0.54100 0.24780 0.04700 0.38000 Na1 0.37130 0.49910 0.63120 0.95000 Na2A 0.50000 0.50000 0.00000 0.47000 Na2B 0.00000 0.50000 0.50000 0.45000 YCe -0.25645 0.49845 0.74445 1.00000 Si1 -0.26610 0.18159 0.73440 1.00000 Si2A -0.49720 0.38752 0.22880 1.00000 Si2B 0.22750 0.38831 -0.49310 1.00000 Si3 -0.45480 0.38870 0.55240 1.00000 Si4 -0.25530 0.31464 0.74650 1.00000 Si5A 0.22690 0.11133 -0.49530 1.00000 Si5B 0.49790 0.11160 0.22460 1.00000 Si6 -0.45210 0.10614 0.55190 1.00000 O1 -0.25880 0.24810 0.73580 1.00000 O2A -0.61830 0.34140 0.18820 1.00000 O2B 0.20290 0.33840 -0.60970 1.00000 O3 -0.39070 0.16460 0.62300 1.00000 O4A 0.12640 0.12770 -0.37110 1.00000 O4B -0.37690 0.12720 0.12740 1.00000 O5A -0.43490 0.37180 0.38910 1.00000 O5B 0.38270 0.37980 -0.41760 1.00000 O6A 0.45170 0.45010 0.21760 1.00000 O6B 0.21100 0.44910 0.44650 1.00000 O7 -0.40380 0.44940 0.58920 1.00000 O8 -0.37580 0.33900 0.64280 1.00000 O9A -0.27570 0.33200 0.90630 1.00000 O9B 0.89340 0.33430 -0.29890 1.00000 O10A -0.43790 0.11550 0.38520 1.00000 O10B 0.38430 0.10670 -0.41850 1.00000 O11A 0.68290 0.44280 -0.07990 1.00000 O11B -0.07780 0.44500 0.68890 1.00000 O12 -0.37040 0.05400 0.61130 1.00000 O13W1 0.84280 0.44800 0.34430 1.00000 O14W2 0.32380 0.45210 0.85700 1.00000 O15W3 0.62200 0.24920 0.35900 0.95000 O16W4 0.89100 0.18700 0.35600 0.46000 O17W5 0.38300 0.18200 0.86500 0.35000 O18W6 0.63300 0.75000 -0.61000 0.37000 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 K1 0.05580 0.02570 0.04580 0.00740 0.01480 0.00450 K2 0.03870 0.03160 0.03800 -0.01040 0.01220 -0.00620 Na1 0.01670 0.02190 0.01580 -0.00190 0.00360 -0.00460 Na2A 0.01110 0.02570 0.01860 0.00380 0.00830 0.00320 Na2B 0.01090 0.02240 0.01930 0.00040 0.00660 0.00070 YCe 0.00220 0.00530 0.00570 -0.00010 0.00170 -0.00020 Si1 0.00510 0.00830 0.00830 0.00060 0.00190 0.00000 Si2A 0.00350 0.01080 0.00820 -0.00050 0.00350 0.00000 Si2B 0.00370 0.01180 0.00840 -0.00030 0.00450 -0.00070 Si3 0.00300 0.01200 0.00820 0.00060 0.00080 -0.00090 Si4 0.00440 0.00920 0.00670 -0.00010 0.00090 -0.00080 Si5A 0.00440 0.01250 0.00770 -0.00090 0.00320 -0.00030 Si5B 0.00470 0.01250 0.00780 -0.00070 0.00340 0.00050 Si6 0.00460 0.01330 0.00700 -0.00010 0.00090 0.00030 O1 0.01650 0.00840 0.02070 -0.00360 0.00000 -0.00150 O2A 0.00750 0.02040 0.01860 -0.00600 0.00610 -0.00500 O2B 0.02620 0.02190 0.01440 -0.00630 0.00930 -0.00710 O3 0.01080 0.02000 0.02470 0.00010 -0.00750 -0.00630 O4A 0.00720 0.01850 0.01120 -0.00090 0.00840 -0.00300 O4B 0.00980 0.01620 0.01180 -0.00360 0.00540 -0.00080 O5A 0.02150 0.02220 0.00680 0.00620 0.00210 -0.00210 O5B 0.00390 0.03620 0.02190 -0.00190 0.00150 0.00830 O6A 0.00970 0.01610 0.02030 0.00340 0.00290 0.00160 O6B 0.01750 0.01660 0.01900 0.00380 0.00670 0.00540 O7 0.01510 0.01500 0.01610 -0.00140 0.00150 -0.00380 O8 0.02240 0.01790 0.01890 0.00530 -0.00890 0.00170 O9A 0.02960 0.01820 0.01080 -0.00090 0.01070 -0.00370 O9B 0.00900 0.02740 0.03760 -0.00950 0.01300 -0.00500 O10A 0.02020 0.05110 0.00920 -0.01090 0.00080 -0.00040 O10B 0.00380 0.03200 0.01770 -0.00040 0.00410 0.00010 O11A 0.01250 0.02250 0.01190 0.00390 0.00800 0.00910 O11B 0.01650 0.01970 0.02350 0.01270 0.01340 0.00610 O12 0.02230 0.01490 0.04210 0.00530 -0.00830 0.00600 O13W1 0.02600 0.09140 0.05830 0.00610 0.00080 -0.04680 O14W2 0.05320 0.07040 0.02930 -0.03420 0.00640 -0.00260 O15W3 0.07150 0.03740 0.06710 0.00340 -0.00200 -0.00290 O16W4 0.03370 0.23550 0.04350 0.04930 -0.01990 -0.06130 O17W5 0.02730 0.16170 0.03950 0.01550 -0.00300 -0.03900 O18W6 0.11360 0.02730 0.11600 -0.00030 -0.05490 -0.00500