data_global _chemical_name_mineral 'Lawsonite' loop_ _publ_author_name 'Meyer H' 'Marion S' 'Sondergeld P' 'Carpenter M A' 'Knight K S' 'Redfern S A T' 'Dove M T' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 566 _journal_page_last 577 _publ_section_title ; Displacive components of the low-temperature phase transitions in lawsonite T = 2 K ; _database_code_amcsd 0002632 _chemical_formula_sum 'Ca (Al1.94 Fe.06) Si2 O10 D4' _cell_length_a 5.86465 _cell_length_b 8.7652 _cell_length_c 13.1002 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 673.414 _exptl_crystal_density_diffrn 3.156 _symmetry_space_group_name_H-M 'P 21 c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '1/2+x,1/2+y,1/2-z' '1/2+x,-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 -0.26600 0.08120 0.25110 1.00000 0.00350 Al 0.00000 0.00000 -0.00200 0.97000 0.00150 Fe 0.00000 0.00000 -0.00200 0.03000 0.00150 Ala 0.00200 -0.00200 0.49800 0.97000 0.00150 Fea 0.00200 -0.00200 0.49800 0.03000 0.00150 Si -0.24800 0.73100 0.13300 1.00000 0.00210 Sia -0.25000 0.72700 0.36600 1.00000 0.00210 O1 -0.23900 -0.20160 0.24850 1.00000 0.00300 O2 0.02400 0.11850 0.12500 1.00000 0.00270 O2a 0.02100 0.12610 0.38190 1.00000 0.00270 O2b 0.47400 0.36740 0.88700 1.00000 0.00270 O2c 0.47500 0.37400 0.61700 1.00000 0.00270 O3 -0.25300 -0.11300 0.06360 1.00000 0.00150 O3a -0.25200 -0.11550 0.43390 1.00000 0.00150 O4 -0.25800 0.39160 0.05130 1.00000 0.00160 O4a -0.24700 0.38060 0.46130 1.00000 0.00160 O5 -0.23400 0.35890 0.24790 1.00000 0.00410 Dw -0.25000 0.38260 0.17210 1.00000 0.02260 Dwa 0.69900 0.44020 0.28410 1.00000 0.03500 Dh -0.25000 0.27970 0.02900 1.00000 0.01930 Dha -0.23400 0.32270 0.40140 1.00000 0.02800