data_global _chemical_name_mineral 'Satterlyite' loop_ _publ_author_name 'Kolitsch U' 'Andrut M' 'Giester G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 127 _journal_page_last 133 _publ_section_title ; Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure and infrared absorption spectra Note: z-coordinate of O6 altered by author, August 2003. ; _database_code_amcsd 0006926 _chemical_formula_sum '(Fe1.544 Mg.456) P O5 H' _cell_length_a 11.355 _cell_length_b 11.355 _cell_length_c 5.0394 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 562.709 _exptl_crystal_density_diffrn 3.706 _symmetry_space_group_name_H-M 'P 3 1 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,z' '-y,x-y,z' 'y,x,z' '-x+y,-x,z' '-x,-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 FeM1 0.32918 0.85077 0.01101 0.83800 0.01032 MgM1 0.32918 0.85077 0.01101 0.16200 0.01032 FeM2 0.17508 0.85376 0.50440 0.70600 0.00870 MgM2 0.17508 0.85376 0.50440 0.29400 0.00870 P1 0.00000 0.00000 0.27825 1.00000 0.00745 P2 0.33333 0.66667 0.52733 1.00000 0.00671 P3 0.34138 0.34138 0.97775 1.00000 0.00676 O1 0.87239 0.87239 0.36970 1.00000 0.01920 O2 0.27631 0.75462 0.63550 1.00000 0.01207 O3 0.26833 0.26833 0.72030 1.00000 0.01190 O4 0.12718 0.75025 0.14270 1.00000 0.01200 O5 0.47330 0.47330 0.90510 1.00000 0.01340 O6 0.33333 0.66667 0.21870 1.00000 0.01620 O-h1 0.62619 0.62619 0.32500 1.00000 0.01120 O-h2 0.72336 0.72336 0.81620 1.00000 0.01160 O-h3 0.00000 0.00000 -0.03050 1.00000 0.03970 H1 0.56300 0.56300 0.41600 1.00000 0.02400 H2 0.80500 0.80500 0.90400 1.00000 0.02100 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 FeM1 0.00807 0.01038 0.00916 0.00211 0.00059 -0.00229 MgM1 0.00807 0.01038 0.00916 0.00211 0.00059 -0.00229 FeM2 0.00898 0.00790 0.00909 0.00413 -0.00001 0.00038 MgM2 0.00898 0.00790 0.00909 0.00413 -0.00001 0.00038 P1 0.00690 0.00690 0.00850 0.00345 0.00000 0.00000 P2 0.00744 0.00744 0.00520 0.00260 0.00000 0.00000 P3 0.00686 0.00686 0.00680 0.00362 -0.00074 -0.00074 O1 0.00900 0.00900 0.03770 0.00290 0.00580 0.00580 O2 0.01520 0.01300 0.01260 0.01050 -0.00100 -0.00130 O3 0.01370 0.01370 0.01180 0.00960 -0.00530 -0.00530 O4 0.00850 0.01500 0.00940 0.00350 -0.00180 -0.00160 O5 0.00950 0.00950 0.01700 0.00150 0.00040 0.00040 O6 0.02130 0.02130 0.00600 0.01065 0.00000 0.00000 O-h1 0.01210 0.01210 0.00820 0.00520 -0.00020 -0.00020 O-h2 0.01270 0.01270 0.01000 0.00690 -0.00280 -0.00280 O-h3 0.05490 0.05490 0.00950 0.02745 0.00000 0.00000