data_global _amcsd_formula_title 'BaZnF4' loop_ _publ_author_name 'Lapasset J' 'Bordallo H' 'Almairac R' 'Nouet J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 211 _journal_year 1996 _journal_page_first 934 _journal_page_last 935 _publ_section_title ; Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4, at 295 K and 113 K Note: T = 295 K ; _database_code_amcsd 0011068 _chemical_formula_sum 'Ba Zn F4' _cell_length_a 4.1974 _cell_length_b 14.546 _cell_length_c 5.8391 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 356.508 _exptl_crystal_density_diffrn 5.193 _symmetry_space_group_name_H-M 'C m c 21' 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,z' '1/2-x,1/2+y,z' '-x,-y,1/2+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 Ba1 0.50000 0.35235 0.46262 Zn1 0.00000 0.41317 0.00000 F1 0.00000 0.30170 0.20030 F2 0.00000 0.33260 -0.27050 F3 0.00000 0.47150 0.32410 F4 0.50000 0.42270 0.01180 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 Ba1 0.00653 0.01860 0.01464 0.00000 0.00000 0.00668 Zn1 0.00920 0.00860 0.00840 0.00000 0.00000 0.00070 F1 0.01800 0.01010 0.01360 0.00000 0.00000 0.00090 F2 0.01170 0.02100 0.01500 0.00000 0.00000 -0.00700 F3 0.02200 0.01110 0.01600 0.00000 0.00000 -0.00540 F4 0.00780 0.04000 0.02400 0.00000 0.00000 0.00900