data_global _chemical_name_mineral 'Ferrocerite-(La)' loop_ _publ_author_name 'Pakhomovsky Y A' 'Men'shikov Y P' 'Yakovenchuk V N' 'Ivanyuk G Y' 'Krivovichev S V' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 1177 _journal_page_last 1184 _publ_section_title ; Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral from the Khibiny Alkaline Massif: Occurrence and crystal structure ; _database_code_amcsd 0005786 _chemical_compound_source 'Khibina alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum 'La4.23 Ce2.61 Ca1.75 Sr.36 Nd.18 Pr.09 Si6.9 O31 Fe.32 Mg.23 H4' _cell_length_a 10.7493 _cell_length_b 10.7493 _cell_length_c 38.318 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3834.368 _exptl_crystal_density_diffrn 4.705 _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 La(1) 0.25867 0.13428 0.06809 0.47000 0.01390 Ce(1) 0.25867 0.13428 0.06809 0.29000 0.01390 Ca(1) 0.25867 0.13428 0.06809 0.15000 0.01390 Sr(1) 0.25867 0.13428 0.06809 0.04000 0.01390 Nd(1) 0.25867 0.13428 0.06809 0.02000 0.01390 Pr(1) 0.25867 0.13428 0.06809 0.01000 0.01390 La(2) 0.14209 0.26126 0.43210 0.47000 0.01950 Ce(2) 0.14209 0.26126 0.43210 0.29000 0.01950 Ca(2) 0.14209 0.26126 0.43210 0.15000 0.01950 Sr(2) 0.14209 0.26126 0.43210 0.04000 0.01950 Nd(2) 0.14209 0.26126 0.43210 0.02000 0.01950 Pr(2) 0.14209 0.26126 0.43210 0.01000 0.01950 La(3) 0.25878 0.13436 0.17585 0.47000 0.01870 Ce(3) 0.25878 0.13436 0.17585 0.29000 0.01870 Ca(3) 0.25878 0.13436 0.17585 0.15000 0.01870 Sr(3) 0.25878 0.13436 0.17585 0.04000 0.01870 Nd(3) 0.25878 0.13436 0.17585 0.02000 0.01870 Pr(3) 0.25878 0.13436 0.17585 0.01000 0.01870 Si(1) 0.31840 0.14850 0.36239 1.00000 0.01290 O(1) 0.25620 0.09150 0.32280 1.00000 0.03300 O(2) 0.27810 0.00260 0.38500 1.00000 0.01600 O(3) 0.26250 0.25130 0.37840 1.00000 0.02000 O(4) 0.08170 0.17300 0.02950 1.00000 0.01670 Si(2) 0.15040 0.32570 0.13689 1.00000 0.01730 O(5) 0.24480 0.27110 0.11620 1.00000 0.02400 O(6) -0.01050 0.27010 0.12240 1.00000 0.02100 O(7) 0.16680 0.07420 0.46640 1.00000 0.01680 O(8) 0.13750 0.28150 0.17820 1.00000 0.02120 FeM 0.00000 0.00000 -0.00168 0.32000 0.01370 CaM 0.00000 0.00000 -0.00168 0.30000 0.01370 MgM 0.00000 0.00000 -0.00168 0.23000 0.01370 Si(3) 0.00000 0.00000 0.25200 0.90000 0.01250 O(9) 0.15970 0.03380 0.24000 1.00000 0.03000 O-H(10) 0.00000 0.00000 0.29610 1.00000 0.01000 O-H(11) 0.00000 0.00000 0.08970 1.00000 0.01600 O-H(12) 0.00000 0.00000 0.16000 1.00000 0.02100 O-H(13) 0.00000 0.00000 0.40900 1.00000 0.03500 Ca 0.00000 0.00000 0.30920 0.10000 0.01000 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 La(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 Ce(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 Ca(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 Sr(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 Nd(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 Pr(1) 0.01600 0.01500 0.01200 0.00860 0.00000 -0.00090 La(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 Ce(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 Ca(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 Sr(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 Nd(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 Pr(2) 0.01640 0.02690 0.01830 0.01310 0.00360 0.00870 La(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Ce(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Ca(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Sr(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Nd(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Pr(3) 0.02290 0.01840 0.01840 0.01300 -0.00450 -0.00480 Si(1) 0.00730 0.01600 0.01400 0.00510 -0.00020 0.00010 O(1) 0.02800 0.05600 0.01100 0.01800 -0.00400 -0.01200 O(2) 0.01200 0.01600 0.01900 0.00600 0.00400 0.00200 O(3) 0.01500 0.02000 0.02200 0.00600 0.00700 0.00500 O(4) 0.01600 0.01600 0.02300 0.01100 0.00000 -0.00300 Si(2) 0.01500 0.02340 0.01260 0.00890 -0.00030 0.00050 O(5) 0.02200 0.03100 0.02200 0.01500 0.00100 -0.01000 O(6) 0.02400 0.02500 0.01300 0.01100 -0.00300 0.00000 O(7) 0.01400 0.01600 0.02000 0.00800 0.00100 0.00100 O(8) 0.02400 0.02300 0.01200 0.00800 -0.00300 0.00000 FeM 0.01350 0.01350 0.01400 0.00680 0.00000 0.00000 CaM 0.01350 0.01350 0.01400 0.00680 0.00000 0.00000 MgM 0.01350 0.01350 0.01400 0.00680 0.00000 0.00000 Si(3) 0.01110 0.01110 0.01500 0.00550 0.00000 0.00000 O(9) 0.01800 0.04200 0.03100 0.01600 -0.00400 -0.01100 O-H(11) 0.07000 0.00700 0.03300 0.00400 0.00000 0.00000 O-H(12) 0.01200 0.01200 0.03900 0.00600 0.00000 0.00000 O-H(13) 0.02900 0.02900 0.04500 0.01500 0.00000 0.00000