data_global _chemical_name_mineral 'Pseudosinhalite' loop_ _publ_author_name 'Daniels P' 'Krosse S' 'Werding G' 'Schreyer W' _journal_name_full 'Contributions to Mineralogy and Petrology' _journal_volume 128 _journal_year 1997 _journal_page_first 261 _journal_page_last 271 _publ_section_title ; "Pseudosinhalite", a new hydrous MgAl-borate: synthesis, phase characterization, crystal structure, and PT-stability ; _database_code_amcsd 0012323 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Al3 Mg2 B2 O10 H' _cell_length_a 7.455 _cell_length_b 4.330 _cell_length_c 9.825 _cell_angle_alpha 90 _cell_angle_beta 110.68 _cell_angle_gamma 90 _cell_volume 296.717 _exptl_crystal_density_diffrn 3.494 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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 AlM1 0.00000 0.00000 0.00000 1.00000 0.00490 AlM2 -0.19293 0.01587 -0.32576 0.90000 0.00430 MgM2 -0.19293 0.01587 -0.32576 0.10000 0.00430 AlM3 -0.42210 0.00736 -0.11008 0.10000 0.00480 MgM3 -0.42210 0.00736 -0.11008 0.90000 0.00480 B 0.20610 0.08670 -0.36180 1.00000 0.00530 O1 -0.20570 0.25390 -0.13410 1.00000 0.00600 O2 -0.38260 -0.27620 -0.24905 1.00000 0.00600 O3 -0.03700 -0.26680 -0.16062 1.00000 0.00620 O4 -0.20300 -0.25010 0.00070 1.00000 0.00560 O5 -0.41570 0.25350 -0.45081 1.00000 0.00680 H 0.50000 0.41100 0.00000 0.50000 0.02800