data_global _chemical_name_mineral 'Morelandite' loop_ _publ_author_name 'Dordevic T' 'Sutovic S' 'Stojanovic J' 'Karanovic L' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 64 _journal_year 2008 _journal_page_first i82 _journal_page_last i86 _publ_section_title ; Sr, Ba and Cd arsenates with the apatite-type structure ; _database_code_amcsd 0010345 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sr2.047 Ba2.951 As3 O12 Cl' _cell_length_a 10.390 _cell_length_b 10.390 _cell_length_c 7.575 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 708.181 _exptl_crystal_density_diffrn 4.862 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+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 Sr1 0.33333 0.66667 0.00205 0.83000 0.01770 Ba1 0.33333 0.66667 0.00205 0.16900 0.01770 Ba2 0.24448 0.98591 0.25000 0.87100 0.01740 Sr2 0.24448 0.98591 0.25000 0.12900 0.01740 As 0.41242 0.37889 0.25000 1.00000 0.01430 O1 0.35070 0.50150 0.25000 1.00000 0.02670 O2 0.59910 0.46610 0.25000 1.00000 0.03230 O3 0.35740 0.27000 0.07190 1.00000 0.04450 Cl 0.00000 0.00000 0.00000 1.00000 0.02760 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 Sr1 0.01960 0.01960 0.01380 0.00981 0.00000 0.00000 Ba1 0.01960 0.01960 0.01380 0.00981 0.00000 0.00000 Ba2 0.01780 0.01830 0.01610 0.00900 0.00000 0.00000 Sr2 0.01780 0.01830 0.01610 0.00900 0.00000 0.00000 As 0.01390 0.01300 0.01580 0.00660 0.00000 0.00000 O1 0.03800 0.02800 0.02600 0.02500 0.00000 0.00000 O2 0.01700 0.02000 0.06400 0.01200 0.00000 0.00000 O3 0.07500 0.03500 0.03300 0.03400 -0.03300 -0.02200 Cl 0.03050 0.03050 0.02190 0.01530 0.00000 0.00000