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 = 4.279 GPa ; _database_code_amcsd 0007290 _chemical_compound_source 'N'Chwaning II mine, Kuruman, South Africa' _chemical_formula_sum 'Ca2 Al2 Si3 O12 H2' _cell_length_a 4.5539 _cell_length_b 5.4148 _cell_length_c 18.317 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 451.669 _exptl_crystal_density_diffrn 3.032 _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 0.01300 Al 0.00000 0.00000 0.00000 1.00000 0.00700 SiT1 0.50000 0.00000 0.11920 1.00000 0.00700 AlT2 0.19340 0.75000 0.25000 0.50000 0.00600 SiT2 0.19340 0.75000 0.25000 0.50000 0.00600 O1 -0.75060 0.13480 0.07170 1.00000 0.01100 O2 -0.37090 0.21600 0.17170 1.00000 0.01100 O3 0.00000 0.50000 0.23020 1.00000 0.01800 O-H -0.20810 0.30280 0.00000 1.00000 0.00900