data_global _chemical_name_mineral 'Alluaivite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Khomyakov A P' 'Andrianov V I' 'Gusev A I' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 312 _journal_year 1990 _journal_page_first 1379 _journal_page_last 1383 _publ_section_title ; Crystal structure of alluaivite Note: eudialyte-type structure ; _database_code_amcsd 0012482 _chemical_formula_sum 'Na37.56 (Ca9 Mn3) (Nb1.38 K.33) Ce.18 Sr.6 Ti4.62 Si52 O163.07 Cl1.6 H6.14' _cell_length_a 14.046 _cell_length_b 14.046 _cell_length_c 60.600 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 10354.009 _exptl_crystal_density_diffrn 2.868 _symmetry_space_group_name_H-M 'R -3 m' 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,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-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' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-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 Na1 0.48640 0.24320 0.48200 1.00000 0.03800 Na2 0.55740 0.44260 0.40900 1.00000 0.04433 Na3 0.23600 0.11800 0.36220 1.00000 0.03673 Na4 0.22460 0.44920 0.33510 0.78000 0.04559 Na5 0.41400 0.58600 0.42210 0.97000 0.08739 Na6 0.10430 0.55220 0.08940 0.90000 0.03926 Na7 0.33333 0.16667 0.16667 1.00000 0.03800 Na8 0.50000 0.50000 0.00000 0.22000 0.06713 Ca1 0.73760 0.00000 0.00000 0.75000 0.00798 Ca2 0.73960 0.73960 0.50000 0.75000 0.00861 Mn1 0.73760 0.00000 0.00000 0.25000 0.00798 Mn2 0.73960 0.73960 0.50000 0.25000 0.00861 Nb1 0.34190 0.17100 0.41630 0.23000 0.01659 K2 0.00000 0.00000 0.50000 0.33000 0.06079 Ce3 0.41400 0.58600 0.42210 0.03000 0.08739 Sr4 0.10430 0.55220 0.08940 0.10000 0.03926 Ti3 0.34190 0.17100 0.41630 0.77000 0.01659 Si1 0.20630 0.41270 0.46080 1.00000 0.01229 Si2 0.52490 0.26250 0.37350 1.00000 0.01672 Si3 0.08480 0.54240 0.37120 1.00000 0.01317 Si4 0.40470 0.59530 0.20950 1.00000 0.01191 Si5 0.34960 0.28470 0.21570 1.00000 0.01191 Si6 0.06250 0.34260 0.28420 1.00000 0.01545 Si7 0.33333 0.66667 0.37810 1.00000 0.01520 Si8 0.33333 0.66667 0.47150 1.00000 0.02280 O1 0.17170 0.34340 0.39140 1.00000 0.02153 O2 0.02580 0.51300 0.34810 1.00000 0.02153 O3 0.55270 0.44730 0.31240 1.00000 0.03166 O4 0.18250 0.36510 0.48480 1.00000 0.01646 O5 0.44330 0.55670 0.23070 1.00000 0.03166 O6 0.47380 0.23690 0.39820 1.00000 0.02786 O7 0.06230 0.12470 0.45430 1.00000 0.02406 O8 0.48950 0.02100 0.44420 1.00000 0.01773 O9 0.60380 0.39620 0.37200 1.00000 0.02533 O10 0.43130 0.56870 0.18620 1.00000 0.03166 O11 0.39190 0.60810 0.36720 1.00000 0.09752 O12 0.26910 0.03900 0.39800 1.00000 0.02406 O13 0.27810 0.37450 0.44580 1.00000 0.02406 O14 0.07290 0.70260 0.30970 1.00000 0.02153 O15 0.68970 0.61470 0.19070 1.00000 0.02026 O16 0.05420 0.43950 0.38770 1.00000 0.03546 O17 0.44240 0.35940 0.23330 1.00000 0.02280 O18 0.27340 0.54670 0.45910 1.00000 0.03293 O19 0.33333 0.66667 0.40410 1.00000 0.01900 O20 0.33333 0.66667 0.49640 1.00000 0.04559 Wat21 0.00000 0.00000 0.50000 0.67000 0.06079 Wat22 0.66667 0.33333 0.44830 1.00000 0.12665 Wat23 0.33333 0.66667 0.05000 0.20000 0.04179 Cl 0.00000 0.00000 0.35430 0.80000 0.02913