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 0020639 _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 'I -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 0.43000 0.02000 Na000 0.26690 0.98380 0.08760 0.07000 0.02000 Ca0i0 0.77410 0.53360 0.54600 0.43000 0.02400 Na0i0 0.77410 0.53360 0.54600 0.07000 0.02400 Caz00 0.26790 0.03100 0.54350 0.43000 0.00800 Naz00 0.26790 0.03100 0.54350 0.07000 0.00800 Cazi0 0.76500 0.51460 0.06420 0.43000 0.04200 Nazi0 0.76500 0.51460 0.06420 0.07000 0.04200 AlT10000 0.00740 0.15850 0.10420 0.05000 0.00900 SiT10000 0.00740 0.15850 0.10420 0.95000 0.00900 AlT10z00 0.00270 0.16480 0.61140 1.00000 0.00800 AlT1m000 -0.00040 0.81540 0.11890 0.87000 0.00900 SiT1m000 -0.00040 0.81540 0.11890 0.13000 0.00900 SiT1mz00 0.00540 0.81750 0.61240 1.00000 0.00900 AlT20000 0.68770 0.11190 0.15740 0.81000 0.01000 SiT20000 0.68770 0.11190 0.15740 0.19000 0.01000 AlT20z00 0.67760 0.10580 0.65900 0.02000 0.01100 SiT20z00 0.67760 0.10580 0.65900 0.98000 0.01100 AlT2m000 0.67700 0.88170 0.18200 0.05000 0.01000 SiT2m000 0.67700 0.88170 0.18200 0.95000 0.01000 AlT2mz00 0.68320 0.87520 0.67590 0.91000 0.00900 SiT2mz00 0.68320 0.87520 0.67590 0.09000 0.00900 OA1000 0.00980 0.12590 0.99160 1.00000 0.01800 OA1z00 -0.00780 0.12590 0.48760 1.00000 0.01800 OA2000 0.57710 0.99040 0.14010 1.00000 0.01300 OA2z00 0.57300 0.99150 0.63730 1.00000 0.01200 OB0000 0.81910 0.10100 0.08970 1.00000 0.01900 OB0z00 0.80190 0.10150 0.59600 1.00000 0.01900 OBm000 0.81070 0.85500 0.12940 1.00000 0.02900 OBmz00 0.81930 0.85540 0.61220 1.00000 0.02400 OC0000 0.01260 0.28000 0.13570 1.00000 0.01600 OC0z00 0.01420 0.29480 0.64790 1.00000 0.01600 OCm000 0.00870 0.68070 0.10830 1.00000 0.01500 OCmz00 0.00840 0.69190 0.60010 1.00000 0.01600 OD0000 0.18940 0.10630 0.18810 1.00000 0.01800 OD0z00 0.20410 0.10400 0.69030 1.00000 0.02000 ODm000 0.20000 0.86900 0.21770 1.00000 0.02400 ODmz00 0.18330 0.86200 0.71280 1.00000 0.02900 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 0.01100 0.03400 0.01500 -0.00500 0.00700 -0.00900 Na000 0.01100 0.03400 0.01500 -0.00500 0.00700 -0.00900 Ca0i0 0.01400 0.03000 0.02400 0.00500 0.00400 -0.00900 Na0i0 0.01400 0.03000 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 0.00700 0.06400 0.04100 0.00500 0.00100 -0.03800 Nazi0 0.00700 0.06400 0.04100 0.00500 0.00100 -0.03800 AlT10000 0.00900 0.01000 0.00800 -0.00100 0.00400 0.00100 SiT10000 0.00900 0.01000 0.00800 -0.00100 0.00400 0.00100 AlT10z00 0.00900 0.00900 0.00800 -0.00100 0.00400 0.00100 AlT1m000 0.01000 0.00900 0.00700 0.00200 0.00400 0.00100 SiT1m000 0.01000 0.00900 0.00700 0.00200 0.00400 0.00100 SiT1mz00 0.01000 0.01100 0.00700 0.00300 0.00400 0.00100 AlT20000 0.00800 0.00800 0.01200 0.00000 0.00400 0.00100 SiT20000 0.00800 0.00800 0.01200 0.00000 0.00400 0.00100 AlT20z00 0.00900 0.00800 0.01400 0.00000 0.00400 0.00000 SiT20z00 0.00900 0.00800 0.01400 0.00000 0.00400 0.00000 AlT2m000 0.00900 0.00800 0.01300 0.00200 0.00400 0.00300 SiT2m000 0.00900 0.00800 0.01300 0.00200 0.00400 0.00300 AlT2mz00 0.00900 0.00900 0.01100 0.00100 0.00500 0.00300 SiT2mz00 0.00900 0.00900 0.01100 0.00100 0.00500 0.00300 OA1000 0.02800 0.01800 0.01000 0.00000 0.01100 0.00200 OA1z00 0.03000 0.01700 0.01300 0.00400 0.01400 0.00300 OA2000 0.01100 0.01100 0.01500 0.00300 0.00500 0.00400 OA2z00 0.01000 0.01000 0.01600 0.00000 0.00400 0.00200 OB0000 0.01500 0.01500 0.02900 -0.00500 0.01400 -0.00400 OB0z00 0.01700 0.01500 0.03200 -0.00300 0.01600 -0.00200 OBm000 0.02000 0.02100 0.05400 0.00200 0.02400 -0.00500 OBmz00 0.01900 0.02200 0.03800 0.00500 0.02000 0.00200 OC0000 0.01600 0.01200 0.02000 -0.00200 0.00900 -0.00100 OC0z00 0.01600 0.01300 0.01800 -0.00300 0.00700 0.00000 OCm000 0.01300 0.01300 0.01500 0.00400 0.00400 0.00100 OCmz00 0.01800 0.01300 0.01500 0.00400 0.00400 0.00000 OD0000 0.01500 0.01700 0.01400 0.00300 0.00000 0.00200 OD0z00 0.01800 0.01400 0.01600 0.00200 -0.00200 0.00200 ODm000 0.01600 0.02000 0.02100 0.00200 -0.00500 -0.00600 ODmz00 0.02300 0.02300 0.02200 0.00400 -0.00800 -0.00700