data_global _chemical_name_mineral 'Bityite' loop_ _publ_author_name 'Gatta G D' 'Nenert G' 'Guastella G' 'Lotti P' 'Guastoni A' 'Rizzato S' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 55 _journal_page_last 72 _publ_section_title ; A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K ; _database_code_amcsd 0020138 _chemical_compound_source 'Harding pegmatite, New Mexico, USA' _chemical_formula_sum '(Ca.74 Na.26) Li.39 Al3.44 Si2.29 Be.16 O12 H1.66' _cell_length_a 5.0864 _cell_length_b 8.8186 _cell_length_c 19.1098 _cell_angle_alpha 90 _cell_angle_beta 95.445 _cell_angle_gamma 90 _cell_volume 853.301 _exptl_crystal_density_diffrn 3.040 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Ca 0.00000 0.09233 0.25000 0.74000 0.00770 Na 0.00000 0.09233 0.25000 0.26000 0.00770 LiM1 0.25000 0.75000 0.00000 0.39000 0.02700 AlM2 0.74660 0.91560 0.99998 1.00000 0.00490 SiT1 0.46520 0.92506 0.14380 0.92500 0.00590 BeT1 0.46520 0.92506 0.14380 0.02000 0.00590 AlT2 0.45520 0.25546 0.14383 0.72000 0.00340 SiT2 0.45520 0.25546 0.14383 0.22000 0.00340 BeT2 0.45520 0.25546 0.14383 0.06000 0.00340 O1 0.95710 0.44070 0.05603 1.00000 0.00860 O2 0.39110 0.25170 0.05600 1.00000 0.00750 O3 0.36040 0.08850 0.17690 1.00000 0.00830 O4 0.28020 0.77970 0.16799 1.00000 0.00820 O5 0.27990 0.39320 0.17778 1.00000 0.00790 O6 0.45210 0.56590 0.05047 1.00000 0.00630 H1 0.36630 0.65590 0.06180 0.56000 0.07000 H2 0.44180 0.59430 0.09920 0.27000 0.07000 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 Ca -0.00780 0.00900 0.00640 0.00000 0.00150 0.00000 Na -0.00780 0.00900 0.00640 0.00000 0.00150 0.00000 AlM2 0.00480 0.00520 0.00470 0.00020 0.00080 0.00020 SiT1 0.00560 0.00610 0.00630 -0.00020 0.00150 0.00020 BeT1 0.00560 0.00610 0.00630 -0.00020 0.00150 0.00020 AlT2 0.00350 0.00450 0.00240 0.00050 0.00040 0.00040 SiT2 0.00350 0.00450 0.00240 0.00050 0.00040 0.00040 BeT2 0.00350 0.00450 0.00240 0.00050 0.00040 0.00040 O1 0.00600 0.00910 0.01090 0.00240 0.00180 -0.00030 O2 0.00780 0.00560 0.00940 0.00040 0.00200 0.00150 O3 0.00750 0.01020 0.00770 -0.00080 0.00290 0.00200 O4 0.00880 0.00790 0.00780 0.00120 0.00030 0.00130 O5 0.00910 0.00730 0.00740 0.00020 0.00090 -0.00070 O6 0.00590 0.00590 0.00750 -0.00130 0.00230 -0.00120