data_global _chemical_name_mineral 'Levyne-Ca' loop_ _publ_author_name 'Sacerdoti M' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1996 _journal_year 1996 _journal_page_first 114 _journal_page_last 124 _publ_section_title ; New refinements of the crystal structure of levyne using twinned crystals Sample: 10 ; _database_code_amcsd 0014884 _chemical_compound_source 'Iki Island, Nagasaki Prefecture, Japan' _chemical_formula_sum 'Ca.79 K.11 Na.48 (Al3.128 Si5.872) O25.77 H15.54' _cell_length_a 13.386 _cell_length_b 13.386 _cell_length_c 22.5910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3505.643 _exptl_crystal_density_diffrn 2.058 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Ca1 0.00000 0.00000 0.14220 0.79000 0.02720 K4 0.00000 0.00000 0.43030 0.11000 0.08100 Na3 0.00000 0.00000 0.40460 0.30000 0.09000 Na5 0.00000 0.00000 0.48780 0.18000 0.04100 AlT1 0.00020 0.23070 0.07060 0.34760 0.01190 SiT1 0.00020 0.23070 0.07060 0.65240 0.01190 AlT2 0.23850 0.00000 0.50000 0.34760 0.01030 SiT2 0.23850 0.00000 0.50000 0.65240 0.01030 O1 0.03580 0.35110 0.10740 1.00000 0.02600 O2 0.09140 0.18280 0.08530 1.00000 0.02310 O3 0.12870 0.25740 -0.09310 1.00000 0.02380 O4 0.26060 0.00000 0.00000 1.00000 0.02480 O5 0.22190 0.44370 0.17930 1.00000 0.02830 Wat1 0.15370 0.07680 0.21460 1.00000 0.06400 Wat2 0.13030 0.26070 0.26380 0.52000 0.09300 Wat3 0.16500 0.08250 0.33630 0.41000 0.10300 Wat6 0.15080 0.30160 0.35970 0.32000 0.12400 Wat7 0.14070 0.16480 0.32330 0.17000 0.11600 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 Ca1 0.02700 0.02700 0.02760 0.01350 0.00000 0.00000 AlT1 0.01030 0.01180 0.01180 0.00420 -0.00080 -0.00180 SiT1 0.01030 0.01180 0.01180 0.00420 -0.00080 -0.00180 AlT2 0.00950 0.00930 0.01210 0.00460 0.00070 0.00140 SiT2 0.00950 0.00930 0.01210 0.00460 0.00070 0.00140 O1 0.03370 0.02240 0.02140 0.01360 -0.00650 -0.00930 O2 0.01900 0.02700 0.02600 0.01350 0.00120 0.00250 O3 0.02000 0.03360 0.02230 0.01680 0.00320 0.00650 O4 0.02900 0.03100 0.01490 0.01550 -0.00070 -0.00140 O5 0.01910 0.03990 0.03270 0.02000 -0.00200 -0.00390