data_global _chemical_name_mineral 'Meridianiite' loop_ _publ_author_name 'Genceli F E' 'Lutz M' 'Spek A L' 'Witkamp G J' _journal_name_full 'Crystal Growth & Design' _journal_volume 7 _journal_year 2007 _journal_page_first 2460 _journal_page_last 2466 _publ_section_title ; Crystallization and characterization of a new magnesium sulfate hydrate MgSO4*11H2O Note: T = 110 K ; _database_code_amcsd 0021041 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg S O15 H22' _cell_length_a 6.72548 _cell_length_b 6.77937 _cell_length_c 17.2898 _cell_angle_alpha 88.255 _cell_angle_beta 89.478 _cell_angle_gamma 62.598 _cell_volume 699.535 _exptl_crystal_density_diffrn 1.512 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mg1 0.50000 0.50000 0.50000 0.00915 Mg2 0.50000 0.50000 0.00000 0.00959 S 0.90502 0.81998 0.20083 0.00808 O1 0.69292 0.65636 0.51415 0.01877 O2 0.25677 0.78302 0.44616 0.01570 O3 0.34760 0.61051 0.60556 0.01411 O4 0.54718 0.61040 0.10526 0.01496 O5 0.84191 0.32672 -0.00835 0.01639 O6 0.50975 0.76791 -0.05533 0.01601 O7 0.05536 0.92210 0.20022 0.01731 O8 0.03068 0.58380 0.22688 0.01449 O9 0.71799 0.93724 0.25500 0.01479 O10 0.81602 0.83061 0.12239 0.01223 O11 0.10574 0.25212 0.11957 0.01474 O12 0.81108 0.90311 0.41287 0.01430 O13 0.93790 0.64731 0.63973 0.01423 O14 0.50358 0.59099 0.75372 0.01453 O15 0.33110 0.93827 0.30774 0.01528 H1 0.71970 0.72940 0.48130 0.03500 H2 0.77100 0.64500 0.55030 0.04200 H3 0.12600 0.80630 0.43870 0.03500 H4 0.28990 0.82600 0.40560 0.03300 H5 0.40920 0.59050 0.64770 0.03300 H6 0.21800 0.62000 0.61540 0.04400 H7 0.61000 0.68000 0.11050 0.03600 H8 0.54600 0.55390 0.14690 0.03300 H9 0.92100 0.31830 0.03080 0.03300 H10 0.92800 0.27350 -0.04480 0.03400 H11 0.62800 0.77090 -0.07480 0.03500 H12 0.40700 0.88100 -0.06770 0.03400 H13 0.06100 0.36000 0.15130 0.04100 H14 0.09300 0.14500 0.14290 0.04000 H15 0.75600 0.03200 0.42370 0.04500 H16 0.79050 0.90890 0.36500 0.03300 H17 0.85600 0.77500 0.65630 0.03600 H18 0.96000 0.55700 0.67620 0.04000 H19 0.64000 0.54200 0.76120 0.03800 H20 0.45070 0.72200 0.76000 0.03300 H21 0.44960 0.91830 0.28690 0.02900 H22 0.26200 0.91300 0.27550 0.03800 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 Mg1 0.00929 0.01054 0.00801 -0.00491 -0.00021 0.00005 Mg2 0.00922 0.01098 0.00877 -0.00488 -0.00040 0.00083 O1 0.02570 0.02830 0.01306 -0.02185 -0.00555 0.00521 O2 0.01184 0.01722 0.01533 -0.00471 -0.00141 0.00582 O3 0.01251 0.02093 0.00885 -0.00762 0.00072 -0.00137