data_global _chemical_name_mineral 'Celestine' loop_ _publ_author_name 'Miyake M' 'Minato I' 'Morikawa H' 'Iwai S I' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 506 _journal_page_last 510 _publ_section_title ; Crystal structure and sulphate force constants of barite, celestite, and anglesite ; _database_code_amcsd 0000664 _chemical_formula_sum 'Sr S O4' _cell_length_a 6.870 _cell_length_b 8.371 _cell_length_c 5.355 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 307.959 _exptl_crystal_density_diffrn 3.962 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,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,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sr 0.15830 0.18390 0.25000 S 0.18530 0.43820 0.75000 O1 0.09300 0.59420 0.75000 O2 0.04190 0.30750 0.75000 O3 0.31080 0.42170 0.97460 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sr 0.00813 0.00816 0.01525 -0.00029 0.00000 0.00000 S 0.00478 0.00816 0.00872 -0.00029 0.00000 0.00000 O1 0.02391 0.00958 0.03341 0.01020 0.00000 0.00000 O2 0.01148 0.01739 0.02470 -0.00903 0.00000 0.00000 O3 0.01219 0.01562 0.01162 -0.00233 -0.00522 0.00023