data_global _chemical_name_mineral 'Percleveite-(Ce)' loop_ _publ_author_name 'Deng B' 'Ibers J A' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 61 _journal_year 2005 _journal_page_first i76 _journal_page_last i78 _publ_section_title ; Dicerium disilicate, Ce2[Si2O7] ; _database_code_amcsd 0010444 _chemical_formula_sum 'Ce2 Si2 O7' _cell_length_a 6.7964 _cell_length_b 6.7964 _cell_length_c 24.7282 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1142.222 _exptl_crystal_density_diffrn 5.215 _symmetry_space_group_name_H-M 'P 41' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x,1/4+z' '-x,-y,1/2+z' 'y,-x,3/4+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ce1 0.11721 0.23463 0.12562 0.00974 Ce2 0.16750 0.51956 0.36782 0.00966 Ce3 0.33539 0.08110 0.26563 0.00948 Ce4 0.69879 0.23761 0.01578 0.01020 Si1 0.23320 0.15050 0.00002 0.00850 Si2 0.29430 0.00530 0.39499 0.00890 Si3 0.37840 0.25980 0.49333 0.00860 Si4 0.59450 0.30350 0.15184 0.00810 O1 0.04040 0.15330 0.21830 0.01180 O2 0.03970 0.45610 0.59850 0.01270 O3 0.05530 0.28390 0.02470 0.00920 O4 0.12120 0.56620 0.19100 0.01040 O5 0.13300 0.15020 0.36750 0.01130 O6 0.18650 0.20840 0.67230 0.01090 O7 0.23690 0.44070 0.47360 0.01180 O8 0.24310 0.12540 0.53430 0.01070 O9 0.32760 0.42920 0.27560 0.00890 O10 0.38260 0.10880 0.05070 0.01240 O11 0.42860 0.13890 0.17110 0.01090 O12 0.48050 0.48480 0.12480 0.01250 O13 0.71590 0.37080 0.20800 0.01190 O14 0.74870 0.18450 0.11320 0.01060 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 Ce1 0.00970 0.01010 0.00940 0.00114 -0.00046 0.00082 Ce2 0.00950 0.00960 0.00990 -0.00032 0.00005 0.00008 Ce3 0.00980 0.00960 0.00900 0.00112 -0.00015 0.00028 Ce4 0.00920 0.01100 0.01040 -0.00110 -0.00047 0.00198 Si1 0.00960 0.00710 0.00900 -0.00030 0.00000 -0.00080 Si2 0.00970 0.01000 0.00700 0.00030 0.00090 0.00060 Si3 0.00920 0.00830 0.00820 -0.00060 0.00040 -0.00150 Si4 0.00640 0.00850 0.00940 -0.00040 -0.00050 -0.00210 O1 0.01900 0.00500 0.01100 -0.00100 -0.00200 0.00100 O2 0.00900 0.01100 0.01800 -0.00300 0.00200 -0.00200 O3 0.01100 0.00700 0.01000 0.00300 -0.00100 -0.00300 O4 0.01100 0.00700 0.01300 -0.00300 -0.00200 0.00200 O5 0.00700 0.01500 0.01200 0.00000 -0.00300 0.00000 O6 0.01000 0.01000 0.01200 -0.00200 0.00000 -0.00100 O7 0.01300 0.00800 0.01500 -0.00500 0.00200 0.00100 O8 0.01100 0.01100 0.01000 -0.00100 -0.00100 0.00300 O9 0.01200 0.00600 0.00800 -0.00500 0.00000 -0.00300 O10 0.00900 0.01300 0.01500 -0.00300 0.00200 0.00000 O11 0.01200 0.01200 0.00900 -0.00200 0.00000 -0.00500 O12 0.01500 0.01600 0.00600 0.00800 -0.00500 -0.00300 O13 0.01200 0.01400 0.01000 -0.00100 -0.00200 -0.00100 O14 0.00800 0.01700 0.00700 -0.00100 0.00100 -0.00300