data_global _chemical_name_mineral 'Bobierrite' loop_ _publ_author_name 'Takagi S' 'Mathew M' 'Brown W E' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1229 _journal_page_last 1233 _publ_section_title ; Crystal structures of bobierrite and synthetic Mg3(PO4)2(H2O)8 ; _database_code_amcsd 0001048 _chemical_formula_sum 'Mg3 P2 O16' _cell_length_a 4.667 _cell_length_b 27.926 _cell_length_c 10.067 _cell_angle_alpha 90 _cell_angle_beta 105.01 _cell_angle_gamma 90 _cell_volume 1267.273 _exptl_crystal_density_diffrn 2.049 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Mg1 0.00000 0.87840 0.25000 Mg2 0.00000 0.06681 0.25000 Mg3 0.00000 0.17283 0.25000 P 0.38610 0.11913 0.06483 O1 0.37150 0.11974 -0.09160 O2 0.71420 0.11951 0.14520 O3 0.22910 0.16505 0.09580 O4 0.23120 0.07345 0.09580 OW1 0.31910 0.32540 0.35710 OW2 0.30880 0.43350 0.34730 OW3 0.28570 0.22389 0.35340 OW4 0.28000 0.01297 0.35070 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 0.00980 0.01240 0.00440 0.00000 -0.00260 0.00000 Mg2 0.01040 0.01130 0.00540 0.00000 -0.00190 0.00000 Mg3 0.01180 0.00980 0.00700 0.00000 -0.00170 0.00000 P 0.00740 0.01110 0.00260 0.00020 -0.00250 -0.00010 O1 0.00990 0.01620 0.00540 -0.00010 -0.00080 0.00120 O2 0.00770 0.01480 0.00620 -0.00130 -0.00370 -0.00110 O3 0.01180 0.01250 0.00740 0.00060 -0.00090 -0.00060 O4 0.01010 0.01110 0.00870 -0.00070 -0.00040 -0.00030 OW1 0.01510 0.01790 0.00900 -0.00040 -0.00060 -0.00090 OW2 0.01230 0.01840 0.00710 -0.00120 -0.00220 0.00000 OW3 0.01810 0.01360 0.03020 -0.00160 -0.00100 -0.00710 OW4 0.01490 0.01540 0.01990 -0.00230 -0.00040 0.00280