data_global _chemical_name_mineral 'Anhydrite' loop_ _publ_author_name 'Bezou C' 'Nonat A' 'Mutin J C' 'Christensen A N' 'Lehmann M S' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 117 _journal_year 1995 _journal_page_first 165 _journal_page_last 176 _publ_section_title ; Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods ; _database_code_amcsd 0013866 _chemical_compound_source 'Maurienne, France' _chemical_formula_sum 'Ca S O4' _cell_length_a 12.0777 _cell_length_b 6.9723 _cell_length_c 6.3040 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 530.856 _exptl_crystal_density_diffrn 2.555 _symmetry_space_group_name_H-M 'C 2 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,-z' '1/2-x,1/2+y,-z' 'x,-y,-z' '1/2+x,1/2-y,-z' '-x,-y,z' '1/2-x,1/2-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca2 0.25000 0.25000 0.66640 0.02026 Ca4 0.00000 0.00000 0.00000 0.00785 S2 0.00000 0.00000 0.50000 0.00925 S4 0.25000 0.25000 0.16480 0.00709 O12 0.07130 0.88420 0.35480 0.00874 O41 0.22670 0.41520 0.30490 0.00228 O42 0.34940 0.27400 0.02920 0.01279