data_global _chemical_name_mineral 'Ferrochiavennite' loop_ _publ_author_name 'Grice J D' 'Kristiansen R' 'Friis H' 'Rowe R' 'Poirier G G' 'Selbekk R S' 'Cooper M A' 'Larsen A O' _journal_name_full 'The Canadian Mineralogist' _journal_volume 51 _journal_year 2013 _journal_page_first 285 _journal_page_last 296 _publ_section_title ; Ferrochiavennite, a new beryllium silicate zeolite from syenite pegmatites in the Larvik Plutonic Complex, Oslo Region, Southern Norway ; _database_code_amcsd 0019852 _chemical_compound_source 'Larvik Plutonic Complex, Oslo Region, Southern Norway' _chemical_formula_sum 'Ca1.161 Fe.917 Si4.736 Be2.264 O17 H6' _cell_length_a 8.7499 _cell_length_b 4.9160 _cell_length_c 31.431 _cell_angle_alpha 90 _cell_angle_beta 90.1574 _cell_angle_gamma 90 _cell_volume 1351.984 _exptl_crystal_density_diffrn 2.600 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 _atom_site_U_iso_or_equiv Ca1 0.74950 0.49960 -0.08735 1.00000 0.01490 Ca2 0.78900 0.40900 0.80190 0.05000 0.06200 Ca22 0.73090 0.49100 0.79980 0.11100 0.06200 Fe1 0.50000 0.50000 0.00000 0.93000 0.01150 Fe2 0.00000 0.50000 0.00000 0.90400 0.01100 Si1 0.75010 0.00040 -0.00143 0.95100 0.00800 Be1 0.75010 0.00040 -0.00143 0.04900 0.00800 Si2 0.41470 0.59250 -0.23247 0.92300 0.01050 Be2 0.41470 0.59250 -0.23247 0.07700 0.01050 Si22 0.08320 0.36620 -0.23206 0.94400 0.01220 Be22 0.08320 0.36620 -0.23206 0.05600 0.01220 Si3 0.14010 0.23530 -0.13453 0.96100 0.00980 Be3 0.14010 0.23530 -0.13453 0.03900 0.00980 Si33 0.35520 0.72300 -0.13537 0.95700 0.01040 Be33 0.35520 0.72300 -0.13537 0.04300 0.01040 Be4 0.50050 0.06960 0.05727 1.00000 0.01260 Be44 0.00080 0.92060 0.05699 1.00000 0.01060 O1 0.65220 -0.20360 -0.03284 1.00000 0.01110 O2 0.84610 0.20620 -0.03221 1.00000 0.01400 O3 0.86100 -0.18670 0.02756 1.00000 0.01180 O4 0.64040 0.18890 0.02808 1.00000 0.01420 O5 0.24950 0.47820 -0.24802 1.00000 0.02810 O6 0.45510 0.85140 -0.26271 1.00000 0.03010 O7 0.41620 0.68100 -0.18255 1.00000 0.03470 O8 0.05020 0.08320 -0.25742 1.00000 0.03730 O9 0.07950 0.32000 -0.18140 1.00000 0.03080 O10 0.00290 0.77790 0.10341 1.00000 0.01540 O11 0.21750 0.94230 -0.13682 1.00000 0.04760 O12 0.27250 0.44460 -0.11893 1.00000 0.03040 O13 0.49510 0.80290 -0.10544 1.00000 0.01800 O-h14 0.49100 0.74120 0.05822 1.00000 0.01350 O-h15 0.01840 0.25480 0.05819 1.00000 0.01740 OW16 0.84020 0.74500 -0.14989 1.00000 0.03810 OW17 0.65610 0.22310 -0.14540 1.00000 0.02590 H14 0.55600 0.69700 0.07000 1.00000 0.05000 H15 -0.05000 0.31300 0.07200 1.00000 0.05000 H161 0.78800 0.77600 -0.13900 1.00000 0.05000 H162 0.84500 0.72100 -0.17700 1.00000 0.05000 H171 0.55700 0.27300 -0.16600 1.00000 0.05000 H172 0.61400 0.07200 -0.14100 1.00000 0.05000 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 0.02010 0.01160 0.01290 -0.00180 0.00100 -0.00020 Ca2 0.05300 0.10000 0.03200 -0.03100 -0.02400 -0.00400 Fe1 0.01620 0.00820 0.01020 -0.00240 0.00220 -0.00030 Fe2 0.01670 0.00660 0.00960 -0.00410 -0.00190 -0.00150 Si1 0.00920 0.00710 0.00770 -0.00340 0.00100 0.00010 Si2 0.01120 0.01150 0.00890 -0.00310 0.00440 -0.00110 Si22 0.01690 0.00890 0.01080 -0.00110 -0.00160 0.00180 Si3 0.00830 0.01150 0.00970 0.00240 -0.00100 -0.00060 Si33 0.01520 0.00920 0.00690 -0.00100 -0.00050 -0.00120 Be4 0.02000 0.00800 0.01000 -0.00900 0.00000 -0.00300 Be44 0.00700 0.01100 0.01300 0.00300 -0.00300 0.00000 O1 0.00680 0.01500 0.01100 0.00220 -0.00440 -0.00290 O2 0.02000 0.01000 0.01200 -0.00300 -0.00300 0.00360 O3 0.00820 0.01600 0.01100 -0.00150 0.00330 0.00280 O4 0.01900 0.00900 0.01400 -0.00200 0.00700 -0.00160 O5 0.03000 0.03400 0.02100 -0.00900 -0.00500 -0.00500 O6 0.03100 0.02200 0.03740 -0.00800 0.00000 0.00636 O7 0.03210 0.06100 0.01100 -0.00700 0.00200 -0.01200 O8 0.02600 0.03000 0.05600 -0.01300 -0.00800 -0.01600 O9 0.02000 0.05600 0.01600 -0.01100 -0.00200 0.01200 O10 0.01300 0.02100 0.01200 -0.00100 0.00250 0.00710 O11 0.02330 0.05400 0.06500 0.02300 -0.01000 -0.01942 O12 0.02700 0.03500 0.02900 -0.01500 -0.01000 0.01100 O13 0.02400 0.02300 0.00800 -0.01000 0.00300 -0.00300 O-h14 0.01500 0.00900 0.01600 -0.00200 -0.00100 0.00260 O-h15 0.01900 0.01800 0.01400 -0.00300 0.00700 -0.00400 OW16 0.06100 0.02700 0.02700 -0.00100 0.00900 0.00700 OW17 0.02600 0.03000 0.02200 -0.00600 -0.00700 -0.00341