data_global _chemical_name_mineral 'Lawsonite' loop_ _publ_author_name 'Meyer H W' '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 = 100 K ; _database_code_amcsd 0002634 _chemical_formula_sum 'Ca (Al1.94 Fe.06) Si2 O10 D4' _cell_length_a 5.86332 _cell_length_b 8.76659 _cell_length_c 13.1021 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 673.465 _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 -0.26900 0.08130 0.25030 1.00000 0.00330 Al 0.00000 0.00000 -0.00400 0.97000 0.00170 Fe 0.00000 0.00000 -0.00400 0.03000 0.00170 Ala 0.00500 -0.00200 0.50500 0.97000 0.00170 Fea 0.00500 -0.00200 0.50500 0.03000 0.00170 Si -0.25200 0.73000 0.13200 1.00000 0.00180 Sia -0.24900 0.72700 0.36600 1.00000 0.00180 O1 -0.24400 -0.20172 0.24850 1.00000 0.00460 O2 0.01800 0.11840 0.12180 1.00000 0.00370 O2a 0.01500 0.12700 0.38620 1.00000 0.00370 O2b 0.46700 0.36750 0.88240 1.00000 0.00370 O2c 0.47000 0.37400 0.61970 1.00000 0.00370 O3 -0.25700 -0.11350 0.06370 1.00000 0.00160 O3a -0.25600 -0.11470 0.43410 1.00000 0.00160 O4 -0.26300 0.39190 0.05130 1.00000 0.00260 O4a -0.25500 0.38060 0.46090 1.00000 0.00260 O5 -0.24100 0.35900 0.24850 1.00000 0.00720 Dw -0.26000 0.38420 0.17260 1.00000 0.02430 Dwa 0.70100 0.44100 0.28510 1.00000 0.03600 Dh -0.25400 0.27970 0.02950 1.00000 0.02160 Dha -0.24000 0.32180 0.40240 1.00000 0.03000