data_global _chemical_name_mineral 'Vastmanlandite-(Ce)' loop_ _publ_author_name 'Holtstam D' 'Kolitsch U' 'Andersson U B' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 129 _journal_page_last 141 _publ_section_title ; Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce) ; _database_code_amcsd 0007088 _chemical_compound_source 'Vastmanland, Sweden' _chemical_formula_sum 'Ce3.078 Ca.922 Mg1.558 Fe.514 Al1.928 Si5 O21.539 F.461 H2' _cell_length_a 8.939 _cell_length_b 5.706 _cell_length_c 15.855 _cell_angle_alpha 90 _cell_angle_beta 94.58 _cell_angle_gamma 90 _cell_volume 806.117 _exptl_crystal_density_diffrn 4.460 _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 Ce3+1 0.85943 0.75000 0.25017 1.00000 0.01084 Ce3+2 0.58997 0.25000 0.16558 1.00000 0.00953 Ce3+3 0.77129 0.72000 0.00960 0.50000 0.01100 Ca 0.18223 0.75000 0.40937 0.92200 0.01100 Ce3+ 0.18223 0.75000 0.40937 0.07800 0.01100 MgM1 0.50000 0.50000 0.50000 0.81200 0.00640 FeM1 0.50000 0.50000 0.50000 0.18800 0.00640 MgM3 0.68719 0.25000 0.37631 0.74600 0.00900 FeM3 0.68719 0.25000 0.37631 0.25400 0.00900 AlM2 0.22646 0.50080 0.20392 0.96400 0.00700 FeM2 0.22646 0.50080 0.20392 0.03600 0.00700 Si1 0.82068 0.75000 0.47627 1.00000 0.00640 Si2 0.03461 0.25000 0.33421 1.00000 0.00600 Si3 0.50998 0.75000 0.31233 1.00000 0.00560 Si4 0.93385 0.25000 0.10290 1.00000 0.00780 Si5 0.42363 0.75000 0.07729 1.00000 0.00630 O1 0.72300 0.50740 0.47890 1.00000 0.01000 O2 0.61300 0.52430 0.29111 1.00000 0.00900 O3 0.11040 0.48590 0.29840 1.00000 0.01040 O5 0.54160 0.25000 0.59020 1.00000 0.00870 O6 0.34600 0.75000 0.25650 1.00000 0.00930 O7 0.92090 0.75000 0.39730 1.00000 0.01080 O8 0.85970 0.25000 0.30660 1.00000 0.01770 O9 0.06590 0.25000 0.43690 1.00000 0.01560 O11 0.34201 0.51000 0.10830 1.00000 0.01200 O13 0.89150 0.75000 0.85300 1.00000 0.00900 O14 0.83860 0.47440 0.13160 1.00000 0.01610 O15 0.95210 0.32730 0.00490 0.50000 0.01320 O16 0.41660 0.75000 0.97700 1.00000 0.03510 O17 0.59490 0.75000 0.11730 1.00000 0.02240 O-H1 0.35000 0.25000 0.24610 1.00000 0.00850 O-H2 0.10330 0.75000 0.16200 1.00000 0.00850 O 0.47920 0.25000 0.41700 0.53900 0.00470 F 0.47920 0.25000 0.41700 0.46100 0.00470 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 Ce3+1 0.00922 0.01636 0.00705 0.00000 0.00133 0.00000 Ce3+2 0.00869 0.01298 0.00702 0.00000 0.00116 0.00000 Ce3+3 0.01480 0.01210 0.00610 0.00090 0.00049 -0.00040 Ca 0.01030 0.01150 0.01070 0.00000 -0.00270 0.00000 Ce3+ 0.01030 0.01150 0.01070 0.00000 -0.00270 0.00000 MgM1 0.00660 0.00490 0.00770 0.00050 0.00150 0.00070 FeM1 0.00660 0.00490 0.00770 0.00050 0.00150 0.00070 MgM3 0.01080 0.00850 0.00810 0.00000 0.00200 0.00000 FeM3 0.01080 0.00850 0.00810 0.00000 0.00200 0.00000 AlM2 0.00650 0.00620 0.00850 -0.00040 0.00190 -0.00010 FeM2 0.00650 0.00620 0.00850 -0.00040 0.00190 -0.00010 Si1 0.00680 0.00610 0.00630 0.00000 0.00070 0.00000 Si2 0.00550 0.00640 0.00630 0.00000 0.00060 0.00000 Si3 0.00420 0.00660 0.00590 0.00000 0.00080 0.00000 Si4 0.00520 0.01110 0.00690 0.00000 0.00010 0.00000 Si5 0.00650 0.00640 0.00640 0.00000 0.00210 0.00000 O1 0.00940 0.00820 0.01240 -0.00160 0.00090 0.00080 O2 0.00830 0.00940 0.00930 0.00230 0.00090 -0.00090 O3 0.01250 0.00730 0.01190 -0.00080 0.00440 0.00020 O5 0.00900 0.00860 0.00850 0.00000 0.00210 0.00000 O6 0.00670 0.00890 0.01200 0.00000 -0.00210 0.00000 O7 0.01100 0.01200 0.01000 0.00000 0.00360 0.00000 O8 0.00700 0.03300 0.01300 0.00000 0.00060 0.00000 O9 0.01400 0.02300 0.00900 0.00000 -0.00320 0.00000 O11 0.01180 0.00790 0.01720 -0.00120 0.00610 0.00010 O13 0.00480 0.01100 0.01100 0.00000 -0.00040 0.00000 O14 0.00860 0.00910 0.03000 0.00110 -0.00350 -0.00080 O15 0.01300 0.01700 0.00900 -0.00040 -0.00100 0.00200 O16 0.04400 0.05400 0.00700 0.00000 0.00300 0.00000 O17 0.00700 0.04000 0.02100 0.00000 0.00150 0.00000 O-H1 0.00650 0.01000 0.00900 0.00000 0.00090 0.00000 O-H2 0.00750 0.00880 0.00900 0.00000 0.00090 0.00000 O 0.00540 0.00390 0.00480 0.00000 0.00120 0.00000 F 0.00540 0.00390 0.00480 0.00000 0.00120 0.00000