data_global _chemical_name_mineral 'Bytownite' loop_ _publ_author_name 'Chiari G' 'Benna P' 'Bruno E' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 169 _journal_year 1984 _journal_page_first 35 _journal_page_last 49 _publ_section_title ; The structure of bytownite (An85). A new refinement ; _database_code_amcsd 0020638 _chemical_compound_source 'Traversella stock, Sesia Lanzo zone, Western Alps, Italy' _chemical_formula_sum '(Ca1.72 Na.28) Al3.71 Si4.29 O16' _cell_length_a 8.188 _cell_length_b 12.822 _cell_length_c 14.196 _cell_angle_alpha 93.37 _cell_angle_beta 116.04 _cell_angle_gamma 90.87 _cell_volume 1335.384 _exptl_crystal_density_diffrn 2.745 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca000 0.26690 0.98380 0.08760 0.86000 0.02000 Na000 0.26690 0.98380 0.08760 0.14000 0.02000 Ca0i0 0.77420 0.53360 0.54600 0.86000 0.02400 Na0i0 0.77420 0.53360 0.54600 0.14000 0.02400 Caz00 0.26800 0.03100 0.54360 0.86000 0.00800 Naz00 0.26800 0.03100 0.54360 0.14000 0.00800 Cazi0 0.76480 0.51460 0.06410 0.86000 0.04200 Nazi0 0.76480 0.51460 0.06410 0.14000 0.04200 AlT10000 0.00300 0.16240 0.10350 0.05000 0.01400 SiT10000 0.00300 0.16240 0.10350 0.95000 0.01400 AlT100i0 0.51070 0.65550 0.60460 0.05000 0.00300 SiT100i0 0.51070 0.65550 0.60460 0.95000 0.00300 AlT10z00 0.00630 0.16140 0.61100 1.00000 0.00800 AlT10zi0 0.49920 0.66810 0.11180 1.00000 0.00600 AlT1m000 0.99290 0.81190 0.11780 0.87000 0.00900 SiT1m000 0.99290 0.81190 0.11780 0.13000 0.00900 AlT1m0i0 0.50570 0.31870 0.61990 0.87000 0.00500 SiT1m0i0 0.50570 0.31870 0.61990 0.13000 0.00500 SiT1mz00 0.01140 0.82170 0.61330 1.00000 0.00700 SiT1mzi0 0.49920 0.31320 0.11140 1.00000 0.00800 AlT20000 0.68760 0.11090 0.15240 0.81000 0.00700 SiT20000 0.68760 0.11090 0.15240 0.19000 0.00700 AlT200i0 0.18770 0.61280 0.66250 0.81000 0.00800 SiT200i0 0.18770 0.61280 0.66250 0.19000 0.00800 AlT20z00 0.67900 0.10530 0.66450 0.02000 0.00800 SiT20z00 0.67900 0.10530 0.66450 0.98000 0.00800 AlT20zi0 0.17620 0.60640 0.15320 0.02000 0.00900 SiT20zi0 0.17620 0.60640 0.15320 0.98000 0.00900 AlT2m000 0.67690 0.88310 0.18750 0.05000 0.00900 SiT2m000 0.67690 0.88310 0.18750 0.95000 0.00900 AlT2m0i0 0.17710 0.38030 0.67670 0.05000 0.00700 SiT2m0i0 0.17710 0.38030 0.67670 0.95000 0.00700 AlT2mz00 0.68010 0.87270 0.67140 0.91000 0.00800 SiT2mz00 0.68010 0.87270 0.67140 0.09000 0.00800 AlT2mzi0 0.18620 0.37770 0.18040 0.91000 0.00700 SiT2mzi0 0.18620 0.37770 0.18040 0.09000 0.00700 OA1000 0.02500 0.12500 0.99500 1.00000 0.01100 OA10i0 0.49350 0.62700 0.48810 1.00000 0.01400 OAlz00 0.97560 0.12370 0.48300 1.00000 0.01200 OAlzi0 0.50860 0.62810 0.99220 1.00000 0.01300 OA2000 0.57740 0.99240 0.14550 1.00000 0.00800 OA20i0 0.07680 0.48830 0.63410 1.00000 0.01300 OA2z00 0.57360 0.99010 0.63110 1.00000 0.01300 OA2zi0 0.07270 0.49280 0.14250 1.00000 0.00700 OB0000 0.81030 0.10410 0.08040 1.00000 0.01300 OB00i0 0.32790 0.59800 0.59880 1.00000 0.01200 OB0z00 0.81100 0.09950 0.60570 1.00000 0.01000 OB0zi0 0.29180 0.60390 0.08520 1.00000 0.01500 OBm000 0.82060 0.85220 0.14260 1.00000 0.01400 OBm0i0 0.30030 0.35790 0.61560 1.00000 0.01800 OBmz00 0.80950 0.85450 0.60230 1.00000 0.01200 OBmzi0 0.33090 0.35660 0.12390 1.00000 0.02000 OC0000 0.00570 0.28190 0.12980 1.00000 0.01000 OC00i0 0.52040 0.77810 0.64230 1.00000 0.01700 OC0z00 0.01890 0.29270 0.64550 1.00000 0.01600 OC0zi0 0.50980 0.79690 0.15030 1.00000 0.01300 OCm000 0.00240 0.67730 0.11100 1.00000 0.01300 OCm0i0 0.51480 0.18410 0.60540 1.00000 0.01100 OCmz00 0.01830 0.69550 0.59760 1.00000 0.01400 OCmzi0 0.49920 0.18860 0.10230 1.00000 0.01000 OD0000 0.18110 0.10530 0.19220 1.00000 0.01300 OD00i0 0.69790 0.60750 0.68390 1.00000 0.01400 OD0z00 0.21420 0.10440 0.68520 1.00000 0.01000 OD0zi0 0.69300 0.60350 0.19590 1.00000 0.01500 ODm000 0.20790 0.87220 0.21080 1.00000 0.01100 ODm0i0 0.69080 0.36530 0.72540 1.00000 0.01800 ODmz00 0.17210 0.85810 0.71970 1.00000 0.01200 ODmzi0 0.69660 0.36620 0.20510 1.00000 0.01900 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 Ca000 0.01000 0.03400 0.01500 -0.00500 0.00700 -0.01000 Na000 0.01000 0.03400 0.01500 -0.00500 0.00700 -0.01000 Ca0i0 0.01300 0.02900 0.02400 0.00500 0.00400 -0.00900 Na0i0 0.01300 0.02900 0.02400 0.00500 0.00400 -0.00900 Caz00 0.00900 0.00900 0.00500 0.00400 0.00300 0.00400 Naz00 0.00900 0.00900 0.00500 0.00400 0.00300 0.00400 Cazi0 0.00600 0.06200 0.04100 0.00500 0.00100 -0.03800 Nazi0 0.00600 0.06200 0.04100 0.00500 0.00100 -0.03800