data_global _chemical_name_mineral 'Mangangordonite' loop_ _publ_author_name 'Leavens P B' 'Rheingold A L' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1988 _journal_year 1988 _journal_page_first 265 _journal_page_last 270 _publ_section_title ; Crystal structures of gordonite, MgAl2(PO4)2(OH)2(H2O)6*2H2O, and its Mn analog ; _database_code_amcsd 0014828 _chemical_formula_sum 'Mn Al2 P2 O18 H18' _cell_length_a 5.257 _cell_length_b 10.363 _cell_length_c 7.040 _cell_angle_alpha 105.44 _cell_angle_beta 113.07 _cell_angle_gamma 78.69 _cell_volume 338.294 _exptl_crystal_density_diffrn 2.341 _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 Mn 0.00000 0.00000 0.00000 ? Al1 0.00000 0.50000 0.00000 ? Al2 0.00000 0.50000 0.50000 ? P 0.34580 0.66510 0.92410 ? Op1 0.16730 0.64720 0.04420 ? Op2 0.29430 0.57550 0.70320 ? Op3 0.27410 0.81310 0.90940 ? Op4 0.34000 0.37300 0.90940 ? O-h5 0.14060 0.50330 0.29050 ? Ow6 0.22910 0.32000 0.54150 ? Ow7 0.24190 0.01150 0.32850 ? Ow8 0.22390 0.11160 0.93380 ? Ow9 0.26770 0.80200 0.50520 ? H52 0.32000 0.49000 0.33000 0.03200 H64 0.30000 0.30000 0.64000 0.17900 H69 0.38000 0.30000 0.52000 0.03000 H76 0.20000 0.08000 0.39000 0.09100 H79 0.21000 0.95000 0.38000 0.09500 H81 0.12000 0.19000 0.93000 0.02600 H83 0.37000 0.12000 0.01000 0.06500 H93 0.25000 0.83000 0.63000 0.04500 H96 0.08000 0.78000 0.42000 0.12700 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 Mn 0.01400 0.01200 0.02300 -0.00200 0.00600 0.00300 Al1 0.00500 0.00700 0.00500 -0.00300 0.00100 0.00000 Al2 0.00700 0.00900 0.00500 -0.00300 0.00200 0.00000 P 0.00700 0.01000 0.01100 -0.00300 0.00200 0.00200 Op1 0.01000 0.01200 0.01100 -0.00400 0.00500 0.00000 Op2 0.01200 0.01100 0.01900 -0.00200 0.00600 0.00400 Op3 0.01400 0.01100 0.01900 -0.00200 0.00600 0.00400 Op4 0.00700 0.01400 0.01100 -0.00400 0.00200 0.00200 O-h5 0.00800 0.01800 0.00800 -0.00500 0.00200 0.00300 Ow6 0.01600 0.01800 0.01000 -0.00400 0.00300 0.00200 Ow7 0.03200 0.03400 0.03100 -0.00900 -0.00400 0.00800 Ow8 0.01700 0.01700 0.06200 -0.00200 0.01600 0.01100 Ow9 0.02800 0.03400 0.02400 -0.00500 0.01200 0.01000