data_global _chemical_name_mineral 'Vanadoallanite-(La)' loop_ _publ_author_name 'Nagashima M' 'Nishio-Hamane D' 'Tomita N' 'Minakawa T' 'Inaba S' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 2739 _journal_page_last 2752 _publ_section_title ; Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan Case 2 ; _database_code_amcsd 0019978 _chemical_compound_source 'Ise, Mie Prefecture, Japan' _chemical_formula_sum 'Ca.76 Mn.69 La.46 Ce.14 Pr.07 Nd.18 V.63 Fe1.01 (Al.92 Ti.08) Mg.06 Si3 O13 H' _cell_length_a 8.8985 _cell_length_b 5.7650 _cell_length_c 10.1185 _cell_angle_alpha 90 _cell_angle_beta 114.120 _cell_angle_gamma 90 _cell_volume 473.758 _exptl_crystal_density_diffrn 4.203 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-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 CaA1 -0.76020 0.75000 0.15207 0.61000 0.01260 MnA1 -0.76020 0.75000 0.15207 0.39000 0.01260 LaA2 0.59344 0.75000 0.42812 0.46000 0.01005 CeA2 0.59344 0.75000 0.42812 0.14000 0.01005 PrA2 0.59344 0.75000 0.42812 0.07000 0.01005 NdA2 0.59344 0.75000 0.42812 0.18000 0.01005 CaA2 0.59344 0.75000 0.42812 0.15000 0.01005 V3+M1 0.00000 0.00000 0.00000 0.58000 0.00830 Fe3+M1 0.00000 0.00000 0.00000 0.42000 0.00830 AlM2 0.00000 0.00000 0.50000 0.92000 0.00690 Ti4+M2 0.00000 0.00000 0.50000 0.08000 0.00690 Fe2+M3 0.30910 0.25000 0.21191 0.56000 0.01100 Mn2+M3 0.30910 0.25000 0.21191 0.30000 0.01100 MgM3 0.30910 0.25000 0.21191 0.06000 0.01100 V3+M3 0.30910 0.25000 0.21191 0.05000 0.01100 Fe3+M3 0.30910 0.25000 0.21191 0.03000 0.01100 Si1 0.34460 0.75000 0.03560 1.00000 0.00890 Si2 0.69050 0.25000 0.28060 1.00000 0.00900 Si3 0.19130 0.75000 0.32570 1.00000 0.00810 O1 0.24010 0.98840 0.02420 1.00000 0.01270 O2 0.31590 0.97020 0.36520 1.00000 0.01070 O3 0.80020 0.01400 0.33300 1.00000 0.01200 O4 0.05900 0.25000 0.13730 1.00000 0.01270 O5 0.05100 0.75000 0.15720 1.00000 0.01130 O6 0.07550 0.75000 0.41680 1.00000 0.01100 O7 0.51260 0.75000 0.17610 1.00000 0.01440 O8 0.54980 0.25000 0.34060 1.00000 0.01890 O9 0.60570 0.25000 0.10370 1.00000 0.01520 O10 0.08950 0.25000 0.43070 1.00000 0.01120 H10 0.07200 0.25000 0.32800 1.00000 0.05000 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 CaA1 0.01670 0.01110 0.01210 0.00000 0.00800 0.00000 MnA1 0.01670 0.01110 0.01210 0.00000 0.00800 0.00000 LaA2 0.00762 0.01290 0.00883 0.00000 0.00253 0.00000 CeA2 0.00762 0.01290 0.00883 0.00000 0.00253 0.00000 PrA2 0.00762 0.01290 0.00883 0.00000 0.00253 0.00000 NdA2 0.00762 0.01290 0.00883 0.00000 0.00253 0.00000 CaA2 0.00762 0.01290 0.00883 0.00000 0.00253 0.00000 V3+M1 0.00620 0.00940 0.00850 -0.00020 0.00220 0.00050 Fe3+M1 0.00620 0.00940 0.00850 -0.00020 0.00220 0.00050 AlM2 0.00490 0.00760 0.00760 -0.00070 0.00200 0.00000 Ti4+M2 0.00490 0.00760 0.00760 -0.00070 0.00200 0.00000 Fe2+M3 0.00790 0.01200 0.01010 0.00000 0.00080 0.00000 Mn2+M3 0.00790 0.01200 0.01010 0.00000 0.00080 0.00000 MgM3 0.00790 0.01200 0.01010 0.00000 0.00080 0.00000 V3+M3 0.00790 0.01200 0.01010 0.00000 0.00080 0.00000 Fe3+M3 0.00790 0.01200 0.01010 0.00000 0.00080 0.00000 Si1 0.00870 0.00900 0.00830 0.00000 0.00270 0.00000 Si2 0.00750 0.00880 0.01100 0.00000 0.00410 0.00000 Si3 0.00670 0.00890 0.00870 0.00000 0.00320 0.00000 O1 0.00900 0.01110 0.01690 -0.00250 0.00420 0.00100 O2 0.00930 0.01130 0.01150 -0.00060 0.00420 -0.00220 O3 0.00850 0.01050 0.01380 0.00010 0.00140 -0.00060 O4 0.01080 0.01220 0.01410 0.00000 0.00410 0.00000 O5 0.01040 0.01070 0.01050 0.00000 0.00200 0.00000 O6 0.01220 0.01040 0.01220 0.00000 0.00680 0.00000 O7 0.01140 0.01530 0.01340 0.00000 0.00190 0.00000 O8 0.01110 0.03340 0.01170 0.00000 0.00420 0.00000 O9 0.01530 0.02010 0.01100 0.00000 0.00610 0.00000 O10 0.01240 0.00970 0.01130 0.00000 0.00460 0.00000