data_global _amcsd_formula_title 'Zn(OH)F' loop_ _publ_author_name 'Crichton W A' 'Parise J B' 'Muller H' 'Breger J' 'Marshall W G' 'Welch M D' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 25 _journal_page_last 36 _publ_section_title ; Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007) ; _database_code_amcsd 0019003 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Zn O H F' _cell_length_a 10.2280 _cell_length_b 3.1125 _cell_length_c 4.7165 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 150.148 _exptl_crystal_density_diffrn 4.485 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn 0.13816 0.75000 0.53130 O 0.44900 0.75000 0.78700 H 0.93940 0.75000 0.90290 F 0.20400 0.25000 0.77400