data_global _chemical_name_mineral 'Lawsonite' loop_ _publ_author_name 'Sondergeld P' 'Schranz W' 'Troster A' 'Armbruster T' 'Giester G' 'Kityk A' 'Carpenter M A' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 448 _journal_page_last 456 _publ_section_title ; Ordering and elasticity associated with low-temperature phase transitions in lawsonite Sample at T = 215 K ; _database_code_amcsd 0003737 _chemical_formula_sum 'Ca Al2 Si2 O10 H4' _cell_length_a 5.8515 _cell_length_b 8.7768 _cell_length_c 13.1107 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 673.332 _exptl_crystal_density_diffrn 3.100 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,y,z' '1/2+x,1/2-y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' 'x,-y,1/2+z' '1/2-x,1/2+y,1/2-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_U_iso_or_equiv Ca 0.00000 0.33243 0.25072 0.00745 Al 0.25000 0.25000 0.00000 0.00413 Ala 0.25000 0.25000 0.50000 0.00383 Si 0.00000 0.98045 0.13204 0.00417 Sia 0.00000 0.97888 0.36585 0.00416 O1 0.00000 0.04971 0.24903 0.00699 O2 0.27482 0.37460 0.11933 0.00705 O2a 0.27177 0.37994 0.38419 0.00608 O3 0.00000 0.13736 0.06351 0.00562 O3a 0.00000 0.13592 0.43419 0.00576 O4 0.00000 0.64019 0.05069 0.00593 O4a 0.00000 0.63476 0.45762 0.00739 O5 0.00000 0.60880 0.24857 0.01533 Hw 0.00000 0.64200 0.18490 0.03700 Hwa 0.00000 0.68100 0.28700 0.04600 Hh 0.00000 0.53950 0.03860 0.04700 Hha 0.00000 0.56380 0.42450 0.10400