data_global _chemical_name_mineral 'Heulandite-Ba' loop_ _publ_author_name 'Larsen A O' 'Nordrum F S' 'Dobelin N' 'Armbruster T' 'Petersen O V' 'Erambert M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 143 _journal_page_last 153 _publ_section_title ; Heulandite-Ba, a new zeolite species from Norway Buskerud county, Norway (Kongsberg ore district) ; _database_code_amcsd 0007089 _chemical_compound_source 'Northern Ravnas silver prospect, southern Vinoren, Flesberg community,' _chemical_formula_sum 'Ba1.098 Ca.784 K.82 Na.1 (Si13.5 Al4.5) O46.742 H21.484' _cell_length_a 17.738 _cell_length_b 17.856 _cell_length_c 7.419 _cell_angle_alpha 90 _cell_angle_beta 116.55 _cell_angle_gamma 90 _cell_volume 2102.017 _exptl_crystal_density_diffrn 2.349 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 Ba1 0.35504 0.50000 0.32370 0.35900 0.03141 Ba2 0.25280 0.50000 0.07680 0.19000 0.03382 Ca 0.45840 0.00000 0.80140 0.39200 0.02786 K 0.21900 0.50000 0.98700 0.41000 0.07472 Na 0.46300 0.00000 0.72500 0.05000 0.02406 Si1 0.17934 0.16850 0.09567 0.75000 0.01355 Al1 0.17934 0.16850 0.09567 0.25000 0.01355 Si2 0.28857 0.08986 0.50023 0.75000 0.01378 Al2 0.28857 0.08986 0.50023 0.25000 0.01378 Si3 0.29214 0.30922 0.28287 0.75000 0.01383 Al3 0.29214 0.30922 0.28287 0.25000 0.01383 Si4 0.43568 0.20123 0.58874 0.75000 0.01367 Al4 0.43568 0.20123 0.58874 0.25000 0.01367 Si5 0.00000 0.21324 0.00000 0.75000 0.01431 Al5 0.00000 0.21324 0.00000 0.25000 0.01431 O1 0.30470 0.00000 0.54940 1.00000 0.03116 O2 0.26840 0.37980 0.38890 1.00000 0.03027 O3 0.31710 0.34920 0.11770 1.00000 0.02609 O4 0.23850 0.10470 0.25450 1.00000 0.02672 O5 0.50000 0.17330 0.50000 1.00000 0.03103 O6 0.08210 0.15860 0.06360 1.00000 0.02318 O7 0.37450 0.26600 0.44980 1.00000 0.03914 O8 0.00860 0.26770 0.18500 1.00000 0.03166 O9 0.21150 0.25310 0.17530 1.00000 0.02698 O10 0.38390 0.12750 0.59970 1.00000 0.02850 Wat1 0.57740 0.08160 0.97280 0.75000 0.04952 Wat2 0.40500 0.50000 0.15500 0.36000 0.18998 Wat3 0.50000 0.00000 0.50000 1.00000 0.09499 Wat4 0.42500 0.50000 0.09100 0.64100 0.10639 Wat5 0.48240 0.40510 0.50700 0.50000 0.09626 Wat6 0.40740 0.50000 0.71900 0.72000 0.11652 Wat7 0.60500 0.09100 0.92200 0.25000 0.07599 Wat8 0.38500 0.50000 0.48100 0.15000 0.06003 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 Ba1 0.03620 0.02280 0.03510 0.00000 0.01560 0.00000 Ba2 0.04100 0.01430 0.05700 0.00000 0.03100 0.00000 Ca 0.01800 0.03100 0.02800 0.00000 0.00470 0.00000 K 0.06500 0.06100 0.10800 0.00000 0.04700 0.00000 Si1 0.01120 0.01710 0.01220 -0.00070 0.00510 0.00070 Al1 0.01120 0.01710 0.01220 -0.00070 0.00510 0.00070 Si2 0.01520 0.01200 0.01430 0.00010 0.00690 0.00010 Al2 0.01520 0.01200 0.01430 0.00010 0.00690 0.00010 Si3 0.01460 0.01520 0.01240 0.00060 0.00660 0.00060 Al3 0.01460 0.01520 0.01240 0.00060 0.00660 0.00060 Si4 0.01200 0.01630 0.01210 -0.00060 0.00490 0.00030 Al4 0.01200 0.01630 0.01210 -0.00060 0.00490 0.00030 Si5 0.01170 0.01790 0.01240 0.00000 0.00450 0.00000 Al5 0.01170 0.01790 0.01240 0.00000 0.00450 0.00000 O1 0.04100 0.01500 0.02700 0.00000 0.00600 0.00000 O2 0.03200 0.03400 0.03300 -0.00300 0.02120 -0.00940 O3 0.03500 0.03000 0.02040 -0.00510 0.01820 -0.00170 O4 0.02750 0.02900 0.01910 0.00870 0.00680 0.00440 O5 0.03500 0.03400 0.03800 0.00000 0.02800 0.00000 O6 0.01530 0.02500 0.02900 0.00040 0.00990 0.00220 O7 0.03600 0.03700 0.03500 0.01600 0.00780 0.01700 O8 0.02680 0.03700 0.02510 0.00000 0.00650 -0.01440 O9 0.02270 0.02480 0.03500 -0.00910 0.01470 -0.00900 O10 0.02370 0.02700 0.03300 -0.00820 0.01140 0.00040 Wat1 0.04900 0.05000 0.04800 0.00000 0.02000 -0.00300 Wat3 0.09800 0.04600 0.15100 0.00000 0.06300 0.00000 Wat4 0.09000 0.07200 0.15000 0.00000 0.04400 0.00000 Wat5 0.06000 0.05800 0.13400 -0.00700 0.01000 0.00200 Wat6 0.07800 0.15000 0.12400 0.00000 0.04600 0.00000