data_global _chemical_name_mineral 'Prehnite' loop_ _publ_author_name 'Detrie T A' 'Ross N L' 'Angel R J' 'Gatta G D' _journal_name_full 'European Journal of Mineralogy' _journal_volume 21 _journal_year 2009 _journal_page_first 561 _journal_page_last 570 _publ_section_title ; Equation of state and structure of prehnite to 9.8 GPa Note: P = 5.111 GPa ; _database_code_amcsd 0007291 _chemical_compound_source 'N'Chwaning II mine, Kuruman, South Africa' _chemical_formula_sum 'Ca2 Al2 Si3 O12 H2' _cell_length_a 4.5414 _cell_length_b 5.4023 _cell_length_c 18.2913 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 448.759 _exptl_crystal_density_diffrn 3.052 _symmetry_space_group_name_H-M 'P n c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2+z' 'x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-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 0.00000 0.50000 0.09960 1.00000 0.01200 Al 0.00000 0.00000 0.00000 1.00000 0.00800 SiT1 0.50000 0.00000 0.11870 1.00000 0.00600 AlT2 0.19630 0.75000 0.25000 0.50000 0.00500 SiT2 0.19630 0.75000 0.25000 0.50000 0.00500 O1 -0.75370 0.13550 0.07120 1.00000 0.01000 O2 -0.37320 0.21920 0.17180 1.00000 0.01200 O3 0.00000 0.50000 0.23200 1.00000 0.01900 O-H -0.21400 0.30450 0.00000 1.00000 0.00900