data_global _chemical_name_mineral 'Aluminocerite-(CeCa)' loop_ _publ_author_name 'Nestola F' 'Guastoni A' 'Camara F' 'Secco L' 'Dal Negro A' 'Pedron D' 'Beran A' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 487 _journal_page_last 493 _publ_section_title ; Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and crystal-structure determination ; _database_code_amcsd 0004896 _chemical_compound_source 'Ratti quarry, Baveno, Italy' _chemical_formula_sum 'Ce3.21 Nd1.14 Pr.42 Sm.15 Gd.06 Dy.03 Yb.009 La1.35 Ca2.31 Si7 (Al.61 Fe.39) (O31 H7)' _cell_length_a 10.645 _cell_length_b 10.645 _cell_length_c 38.019 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3730.978 _exptl_crystal_density_diffrn 4.619 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 Ce1 0.25920 0.13369 0.06808 0.34000 0.02330 Nd1 0.25920 0.13369 0.06808 0.38000 0.02330 Pr1 0.25920 0.13369 0.06808 0.14000 0.02330 Sm1 0.25920 0.13369 0.06808 0.05000 0.02330 Gd1 0.25920 0.13369 0.06808 0.02000 0.02330 Dy1 0.25920 0.13369 0.06808 0.01000 0.02330 Yb1 0.25920 0.13369 0.06808 0.00300 0.02330 Ce2 0.14123 0.25820 0.43098 0.55000 0.02240 La2 0.14123 0.25820 0.43098 0.24000 0.02240 Ca2 0.14123 0.25820 0.43098 0.20000 0.02240 Ca3 0.25720 0.13370 0.17590 0.57000 0.02300 La3 0.25720 0.13370 0.17590 0.21000 0.02300 Ce3 0.25720 0.13370 0.17590 0.18000 0.02300 Si1 0.31670 0.14670 0.36201 1.00000 0.02340 Si2 0.14990 0.32680 0.13720 1.00000 0.02310 Si3 0.00000 0.00000 0.25310 1.00000 0.02700 AlM1 0.00000 0.00000 -0.00140 0.61000 0.02600 Fe3+M1 0.00000 0.00000 -0.00140 0.39000 0.02600 O-H1 0.25600 0.09000 0.32280 1.00000 0.03500 O2 0.27700 0.00440 0.38540 1.00000 0.02500 O3 0.26500 0.25000 0.37820 1.00000 0.03400 O4 0.08300 0.16840 0.02970 1.00000 0.02900 O5 0.24400 0.26800 0.11580 1.00000 0.03700 O6 -0.01800 0.26900 0.12270 1.00000 0.03500 O7 0.16370 0.07190 0.46790 1.00000 0.02700 O8 0.14200 0.27900 0.17830 1.00000 0.02400 O9 0.16260 0.03800 0.24040 1.00000 0.05000 O-H10 0.00000 0.00000 0.29720 1.00000 0.02400 O-H11 0.00000 0.00000 0.09210 1.00000 0.02900 O-H12 0.00000 0.00000 0.16070 1.00000 0.01800 O-H13 0.00000 0.00000 0.40960 1.00000 0.05600 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 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Nd1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Pr1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Sm1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Gd1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Dy1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Yb1 0.02390 0.02340 0.02320 0.01220 0.00010 -0.00080 Ce2 0.02120 0.02480 0.02270 0.01250 0.00220 0.00490 La2 0.02120 0.02480 0.02270 0.01250 0.00220 0.00490 Ca2 0.02120 0.02480 0.02270 0.01250 0.00220 0.00490 Ca3 0.02420 0.02150 0.02520 0.01280 -0.00430 -0.00390 La3 0.02420 0.02150 0.02520 0.01280 -0.00430 -0.00390 Ce3 0.02420 0.02150 0.02520 0.01280 -0.00430 -0.00390 Si1 0.02400 0.02300 0.02100 0.01000 -0.00200 0.00000 Si2 0.02600 0.01800 0.02400 0.01000 0.00300 0.00700 Si3 0.02200 0.02200 0.03600 0.01090 0.00000 0.00000 AlM1 0.02700 0.02700 0.02400 0.01360 0.00000 0.00000 Fe3+M1 0.02700 0.02700 0.02400 0.01360 0.00000 0.00000 O-H1 0.02800 0.04600 0.02200 0.01200 -0.00500 -0.00200 O2 0.03200 0.01200 0.03300 0.01100 0.00100 -0.00800 O3 0.03600 0.03000 0.03900 0.01900 0.00500 0.00300 O4 0.05100 0.01200 0.02400 0.01500 0.00600 0.00500 O5 0.03000 0.02800 0.04600 0.01000 0.00900 0.00200 O6 0.03700 0.03600 0.03800 0.02400 -0.00500 -0.00100 O7 0.01400 0.01300 0.05300 0.00600 0.00600 0.00700 O8 0.01700 0.01600 0.03300 0.00400 0.00100 -0.00300 O9 0.04600 0.04400 0.04300 0.01000 -0.01700 -0.01100 O-H10 0.01200 0.01200 0.04700 0.00600 0.00000 0.00000 O-H11 0.00400 0.00400 0.08000 0.00200 0.00000 0.00000 O-H12 0.01100 0.01100 0.03300 0.00600 0.00000 0.00000 O-H13 0.07300 0.07300 0.02100 0.03700 0.00000 0.00000