data_global _chemical_name_mineral 'Pezzottaite' loop_ _publ_author_name 'Gatta D G' 'Adamo I' 'Meven M' 'Lambruschi E' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 39 _journal_year 2012 _journal_page_first 829 _journal_page_last 840 _publ_section_title ; A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K ; _database_code_amcsd 0020677 _chemical_compound_source 'Sakavalana pegmatite, Ambatovita, Madagascar' _chemical_formula_sum 'Cs.717 Na.121 Be2 Li Al2 Si6 O18' _cell_length_a 15.9615 _cell_length_b 15.9615 _cell_length_c 27.8568 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 6146.236 _exptl_crystal_density_diffrn 3.081 _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' '-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' '-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 Cs1 0.00000 0.00000 -0.08208 0.69400 0.02230 Cs2 0.00000 0.00000 0.25000 0.76400 0.02940 Na1 0.00000 0.00000 0.00000 0.19800 0.00300 Na2 0.00000 0.00000 -0.16250 0.08300 0.00300 Be 0.33791 0.17045 0.08404 1.00000 0.00830 Li 0.50310 0.50310 0.75000 1.00000 0.00740 Al1 0.66667 0.00046 0.08333 1.00000 0.00530 Al2 -0.00541 0.33333 0.08333 1.00000 0.00470 Si1 0.04509 0.21954 -0.00098 1.00000 0.00450 Si2 0.21989 0.05039 0.16545 1.00000 0.00400 Si3 0.04999 -0.17009 0.16639 1.00000 0.00420 O1 0.27627 0.06425 0.21526 1.00000 0.01040 O2 0.07013 0.28069 -0.05060 1.00000 0.01010 O3 0.06050 -0.22828 0.12297 1.00000 0.01480 O4 0.28879 0.07412 0.11922 1.00000 0.00940 O5 0.05203 0.28245 0.04471 1.00000 0.01340 O6 0.06834 -0.20446 0.21767 1.00000 0.01000 O7 -0.05907 0.12006 -0.00504 1.00000 0.01160 O8 -0.05343 -0.17373 0.16592 1.00000 0.01120 O9 0.12653 -0.05597 0.16037 1.00000 0.01240 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 Cs1 0.02390 0.02390 0.01900 0.01200 0.00000 0.00000 Cs2 0.03380 0.03380 0.02090 0.01690 0.00000 0.00000 Be 0.00900 0.00900 0.00800 0.00500 0.00100 -0.00100 Li 0.00600 0.00600 0.00600 0.00100 0.00100 0.00100 Al1 0.00500 0.00570 0.00480 0.00250 0.00010 0.00010 Al2 0.00530 0.00370 0.00460 0.00190 0.00010 0.00010 Si1 0.00420 0.00370 0.00520 0.00180 0.00040 0.00010 Si2 0.00320 0.00350 0.00480 0.00130 -0.00020 0.00010 Si3 0.00400 0.00420 0.00480 0.00220 -0.00060 -0.00030 O1 0.01180 0.01010 0.00720 0.00400 -0.00350 0.00120 O2 0.00930 0.00970 0.00950 0.00350 -0.00050 0.00390 O3 0.01740 0.01990 0.01210 0.01320 -0.00490 -0.00930 O4 0.01040 0.00930 0.00830 0.00470 0.00450 0.00060 O5 0.01670 0.00830 0.01160 0.00350 0.00520 -0.00270 O6 0.00590 0.01340 0.00890 0.00360 0.00100 0.00490 O7 0.00640 0.00770 0.01920 0.00250 0.00120 -0.00020 O8 0.00600 0.01120 0.01730 0.00490 -0.00070 0.00150 O9 0.00760 0.00540 0.02130 0.00110 -0.00090 0.00150