data_global _chemical_name_mineral 'Alflarsenite' loop_ _publ_author_name 'Grice J D' 'Raade G' 'Cooper M A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 255 _journal_page_last 266 _publ_section_title ; Alflarsenite: Structure and relationship to other Be-Si and zeolite framework structures Note: x-coordinate for O7 changed by authors ; _database_code_amcsd 0006328 _chemical_compound_source 'Larvik plutonic complex, Oslo Region, Norway' _chemical_formula_sum 'Na2 Ca4 Be6 Si8 O32 H10' _cell_length_a 7.1222 _cell_length_b 19.8378 _cell_length_c 9.8071 _cell_angle_alpha 90 _cell_angle_beta 111.287 _cell_angle_gamma 90 _cell_volume 1291.096 _exptl_crystal_density_diffrn 2.591 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-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 Na1 0.38650 0.26160 -0.00330 1.00000 0.03320 Na2 0.35760 0.50200 0.58440 1.00000 0.01720 Ca1 0.89760 0.50000 0.00230 1.00000 0.01850 Ca2 0.77800 0.50210 0.42030 1.00000 0.03270 Ca3 0.12970 0.74720 0.35600 1.00000 0.01670 Ca4 0.78580 0.74840 0.64370 1.00000 0.02690 Be1 0.34330 0.25010 0.67880 1.00000 0.00700 Be2 0.09130 0.42380 0.32160 1.00000 0.00800 Be3 -0.24530 0.57520 0.66610 1.00000 0.00800 Be4 0.64980 0.24820 0.30820 1.00000 0.01800 Be5 0.78700 0.42090 0.68350 1.00000 0.01400 Be6 0.08490 0.57750 0.31320 1.00000 0.00600 Si1 0.52750 0.62590 0.82770 1.00000 0.00780 Si2 0.10050 0.62790 0.61550 1.00000 0.01040 Si3 0.69110 0.37420 0.16560 1.00000 0.00970 Si4 0.50790 0.37410 0.39840 1.00000 0.01120 Si5 0.69650 0.62780 0.17170 1.00000 0.01540 Si6 0.48810 0.62930 0.38800 1.00000 0.01450 Si7 0.52340 0.37480 0.83380 1.00000 0.01620 Si8 0.11110 0.37310 0.60800 1.00000 0.01270 O1 0.54650 0.63180 0.00170 1.00000 0.01420 O2 0.69150 0.57340 0.81700 1.00000 0.00860 O3 0.30140 0.59200 0.73730 1.00000 0.00890 O4 0.53700 0.70080 0.76750 1.00000 0.01900 O5 -0.07180 0.63320 0.68770 1.00000 0.01500 O6 0.15780 0.70470 0.58510 1.00000 0.00900 O7 0.03880 0.57970 0.47800 1.00000 0.01300 O8 0.89380 0.41400 0.17720 1.00000 0.01600 O9 0.59140 0.40960 0.27020 1.00000 0.01300 O10 0.72490 0.29760 0.20300 1.00000 0.02400 O11 0.52070 0.38710 0.99650 1.00000 0.02130 O12 0.59390 0.29780 0.42990 1.00000 0.00480 O13 0.26180 0.36690 0.32770 1.00000 0.01400 O14 0.58600 0.42390 0.53100 1.00000 0.01900 O15 0.77130 0.70240 0.23000 1.00000 0.01900 O16 0.87340 0.57560 0.18720 1.00000 0.02400 O17 0.55500 0.59560 0.25550 1.00000 0.01800 O18 0.57490 0.70350 0.41850 1.00000 0.01600 O19 0.24920 0.63480 0.33150 1.00000 0.03000 O20 0.58640 0.57670 0.52670 1.00000 0.01400 O21 0.70930 0.41620 0.82240 1.00000 0.01300 O22 0.30890 0.41050 0.72400 1.00000 0.01400 O23 0.50380 0.29400 0.81100 1.00000 0.01100 O24 0.04500 0.42500 0.46950 1.00000 0.01700 O25 0.17020 0.29980 0.57240 1.00000 0.03200 O26 0.94760 0.36870 0.68620 1.00000 0.02300 O-H27 -0.11540 0.50010 0.69290 1.00000 0.01600 O-H28 0.18680 0.50050 0.31180 1.00000 0.01400 Wat1 0.15480 0.42860 0.98940 1.00000 0.05200 Wat2 0.13740 0.59050 0.00080 1.00000 0.04000 Wat3 0.15100 0.73730 0.12350 0.67000 0.03300 Wat4 0.87900 0.78830 0.90360 0.77000 0.03300 Wat5 0.03700 0.72830 0.87310 0.56000 0.03300