data_global _chemical_name_mineral 'Piemontite' loop_ _publ_author_name 'Nagashima M' 'Armbruster T' 'Akasaka M' 'Minakawa T' _journal_name_full 'Journal of Mineralogical and Petrological Sciences' _journal_volume 105 _journal_year 2010 _journal_page_first 142 _journal_page_last 150 _publ_section_title ; Crystal chemistry of Mn2+-, Sr-rich and REE-bearing piemontite from the Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan ; _database_code_amcsd 0018299 _chemical_compound_source 'Kamisugai mine, Sambagawa metamorphic belt, Shikoku, Japan' _chemical_formula_sum 'Ca1.3 Mn1.13 Sr.19 La.03 Ce.05 Nd.02 Al1.83 Fe1.11 Si3 O12.87 H.87' _cell_length_a 8.8673 _cell_length_b 5.6747 _cell_length_c 10.1594 _cell_angle_alpha 90 _cell_angle_beta 114.719 _cell_angle_gamma 90 _cell_volume 464.371 _exptl_crystal_density_diffrn 3.914 _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 CaAl 0.75740 0.75000 0.15270 0.59000 0.01570 MnAl 0.75740 0.75000 0.15270 0.41000 0.01570 CaA2 0.59500 0.75000 0.42469 0.71000 0.00870 SrA2 0.59500 0.75000 0.42469 0.19000 0.00870 LaA2 0.59500 0.75000 0.42469 0.03000 0.00870 CeA2 0.59500 0.75000 0.42469 0.05000 0.00870 NdA2 0.59500 0.75000 0.42469 0.02000 0.00870 AlMl 0.00000 0.00000 0.00000 0.72000 0.00850 MnMl 0.00000 0.00000 0.00000 0.17000 0.00850 FeMl 0.00000 0.00000 0.00000 0.77000 0.00850 AlM2 0.00000 0.00000 0.50000 1.00000 0.00880 AlM3 0.29990 0.25000 0.21930 0.11000 0.00960 MnM3 0.29990 0.25000 0.21930 0.55000 0.00960 FeM3 0.29990 0.25000 0.21930 0.34000 0.00960 Sil 0.34330 0.75000 0.04280 1.00000 0.01020 Si2 0.68900 0.25000 0.27570 1.00000 0.01030 Si3 0.18540 0.75000 0.31930 1.00000 0.00970 O1 0.23680 0.99270 0.03470 1.00000 0.01650 O2 0.30660 0.97820 0.35450 1.00000 0.01480 O3 0.80090 0.01430 0.33400 1.00000 0.01650 O4 0.05630 0.25000 0.13050 1.00000 0.01270 O5 0.04110 0.75000 0.14920 1.00000 0.01360 O6 0.07420 0.75000 0.41400 1.00000 0.01250 O7 0.51700 0.75000 0.17850 1.00000 0.01900 O8 0.53400 0.25000 0.32010 1.00000 0.02000 O9 0.61630 0.25000 0.09990 1.00000 0.02400 O10 0.08850 0.25000 0.43290 0.87000 0.01170 H10 0.03000 0.25000 0.32700 0.87000 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 CaAl 0.02120 0.01280 0.01710 0.00000 0.01190 0.00000 MnAl 0.02120 0.01280 0.01710 0.00000 0.01190 0.00000 CaA2 0.00690 0.01240 0.00560 0.00000 0.00150 0.00000 SrA2 0.00690 0.01240 0.00560 0.00000 0.00150 0.00000 LaA2 0.00690 0.01240 0.00560 0.00000 0.00150 0.00000 CeA2 0.00690 0.01240 0.00560 0.00000 0.00150 0.00000 NdA2 0.00690 0.01240 0.00560 0.00000 0.00150 0.00000 AlMl 0.00900 0.00560 0.01030 -0.00050 0.00330 0.00040 MnMl 0.00900 0.00560 0.01030 -0.00050 0.00330 0.00040 FeMl 0.00900 0.00560 0.01030 -0.00050 0.00330 0.00040 AlM2 0.00860 0.00620 0.01190 -0.00020 0.00450 -0.00070 AlM3 0.00870 0.00820 0.00960 0.00000 0.00150 0.00000 MnM3 0.00870 0.00820 0.00960 0.00000 0.00150 0.00000 FeM3 0.00870 0.00820 0.00960 0.00000 0.00150 0.00000 Sil 0.01000 0.00890 0.01140 0.00000 0.00430 0.00000 Si2 0.01060 0.00840 0.01250 0.00000 0.00560 0.00000 Si3 0.01000 0.00970 0.01070 0.00000 0.00570 0.00000 O1 0.01800 0.00900 0.02600 0.00200 0.01200 0.00100 O2 0.01400 0.01600 0.01500 -0.00300 0.00700 -0.00100 O3 0.01300 0.00800 0.02200 0.00100 0.00100 0.00000 O4 0.01500 0.01100 0.01300 0.00000 0.00700 0.00000 O5 0.01200 0.01300 0.01500 0.00000 0.00500 0.00000 O6 0.01500 0.00900 0.01800 0.00000 0.01200 0.00000 O7 0.01600 0.01700 0.01600 0.00000 0.00100 0.00000 O8 0.01700 0.02500 0.02600 0.00000 0.01600 0.00000 O9 0.02800 0.03300 0.01400 0.00000 0.01100 0.00000 O10 0.01300 0.01000 0.01600 0.00000 0.01000 0.00000