data_global _amcsd_formula_title 'PbRb(PO3)3' loop_ _publ_author_name 'Prisset J' 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 31 _journal_year 1994 _journal_page_first 37 _journal_page_last 46 _publ_section_title ; The Pb(PO3)2-Rb(PO3) phase-equilibrium crystal structure of PbRb(PO3)3 _cod_database_code 1007228 ; _database_code_amcsd 0015910 _chemical_formula_sum 'Pb Rb P3 O9' _cell_length_a 14.05 _cell_length_b 17.09 _cell_length_c 7.228 _cell_angle_alpha 90 _cell_angle_beta 103.85 _cell_angle_gamma 90 _cell_volume 1685.088 _exptl_crystal_density_diffrn 4.175 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Pb1 0.38053 0.07070 0.08620 Pb2 0.86990 0.07549 0.03910 Rb1 -0.00100 0.17320 0.65200 Rb2 0.44960 0.83890 0.32990 P1 0.85980 0.63550 0.33970 P2 0.13680 0.49140 0.91370 P3 0.64770 0.48910 -0.01250 P4 0.35970 0.62500 0.31490 P5 0.81070 0.27710 0.87240 P6 0.19720 0.75230 0.73250 O1 0.15400 0.40050 0.86700 O2 0.30500 0.91280 0.95200 O3 0.53800 0.15180 0.07400 O4 0.23900 0.53090 0.91400 O5 0.06300 0.52500 0.74400 O6 0.88200 0.50800 0.89300 O7 0.88200 0.90410 0.61800 O8 0.90300 -0.01000 0.35500 O9 0.36500 0.44710 0.15400 O10 0.79800 0.79790 0.73800 O11 0.20300 0.07000 0.11000 O12 0.04500 0.15300 0.06600 O13 0.69200 0.80000 0.41300 O14 0.61600 0.83200 0.67100 O15 0.82100 0.19150 0.85400 O16 0.81000 0.72010 0.29000 O17 0.68700 0.80200 0.07200 O18 0.13200 0.82130 0.72000 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 Pb1 0.01850 0.01340 0.01440 -0.00090 0.00440 -0.00260 Pb2 0.01660 0.01160 0.01890 0.00110 0.00490 0.00060 Rb1 0.02600 0.02200 0.02200 -0.00570 0.00310 0.00100 Rb2 0.03200 0.02040 0.02000 -0.00160 0.00380 -0.00070 P1 0.01500 0.01100 0.01700 0.00400 0.00500 -0.00100 P2 0.01400 0.01700 0.01700 -0.00100 0.00800 -0.00200 P3 0.02900 0.00900 0.02200 0.00200 0.00600 -0.00400 P4 0.01400 0.01400 0.01800 -0.00200 0.00200 0.00100 P5 0.02100 0.01000 0.01400 0.00300 0.00500 0.00000 P6 0.01600 0.00900 0.01100 -0.00500 0.00400 -0.00100 O1 0.03100 0.00800 0.01600 0.00700 0.00900 -0.00100 O2 0.01400 0.01600 0.00600 -0.00700 0.00600 -0.00800 O3 0.01300 0.02100 0.01700 0.00800 0.00300 -0.00800 O4 0.00500 0.00500 0.05000 0.00100 -0.00200 0.00200 O5 0.03600 0.02000 0.02300 -0.00900 0.02200 0.00000 O6 0.02900 0.02200 0.01800 -0.01900 0.00200 -0.00200 O7 0.03200 0.01800 0.01500 0.00700 0.01200 0.00300 O8 0.03300 0.02500 0.01500 0.01100 0.00900 -0.00100 O9 0.03200 0.01600 0.03400 -0.00400 0.00800 0.01600 O10 0.02200 0.00400 0.03300 0.00200 -0.00400 0.00500 O11 0.02000 0.01500 0.03100 0.00300 0.00100 -0.01100 O12 0.00500 0.03300 0.03200 -0.00500 -0.00700 0.00000 O13 0.06000 0.00500 0.02800 -0.00500 0.02400 -0.00800 O14 0.01500 0.02000 0.02800 0.00600 0.00500 -0.00400 O15 0.03800 0.00800 0.02300 0.00200 0.00300 -0.00200 O16 0.01800 0.01000 0.05000 0.00500 0.01000 0.00100 O17 0.03300 0.02600 0.01300 0.00000 0.00100 0.00100 O18 0.03400 0.01000 0.02300 0.00000 0.00400 0.00300