#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005240.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2005240 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 1862 _journal_page_last 1867 _publ_section_title ; Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~--Mo~10~--Mo~7~ Chains ; _chemical_formula_iupac 'Sr4 Ga3 Mo26 O48' _chemical_formula_sum 'Ga3 Mo26 O48 Sr4' _chemical_formula_weight 3822.05 _symmetry_cell_setting monoclinic _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_cif_authors_sg_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z '-x,-y,-z' '-x,1/2+y,1/2-z' _cell_length_a 15.082(3) _cell_length_b 9.1900(3) _cell_length_c 26.499(5) _cell_angle_alpha 90 _cell_angle_beta 90.533(9) _cell_angle_gamma 90 _cell_volume 3672.5(9) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 6.912 _cell_measurement_temperature 295 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv Mo(1) .58655(4) .38126(8) .12968(2) .30(1) Mo(2) .24919(4) .62050(8) .83687(2) .27(1) Mo(3) .28474(4) .62240(8) .93854(2) .30(1) Mo(4) .32359(4) .38213(8) .88233(2) .28(1) Mo(5) .11438(4) .62044(8) .90677(2) .28(1) Mo(6) .14941(4) .37802(8) .85095(2) .28(1) Mo(7) .18428(4) .38023(8) .95029(2) .29(1) Mo(8) .45200(4) .37677(9) .30583(3) .45(1) Mo(9) .28901(4) .37950(8) .27189(2) .27(1) Mo(10) .39377(4) .62300(9) .26298(3) .40(1) Mo(11) .42890(4) .37737(8) .20727(2) .30(1) Mo(12) .22648(4) .62042(8) .22386(2) .28(1) Mo(13) .26136(4) .37626(8) .16867(2) .27(1) Mo(14) .36390(4) .61772(8) .15910(2) .31(1) Mo(15) .04021(5) .64271(9) .68477(3) .78(1) Mo(16) .00577(4) .62443(8) .58802(3) .38(1) Mo(17) .07519(4) .37678(9) .62671(3) .55(1) Mo(18) .03797(4) .38241(8) .52511(3) .37(1) Mo(19) .17381(4) .62387(8) .62061(3) .37(1) Mo(20) .13947(4) .61672(8) .51522(3) .39(1) Mo(21) .21233(4) .38503(8) .56103(2) .31(1) Mo(22) .32928(4) .61563(8) .54775(2) .26(1) Mo(23) .59298(4) .61345(8) .40552(2) .26(1) Mo(24) .36886(4) .37364(8) .48912(2) .26(1) Mo(25) .50497(4) .63245(8) .57684(2) .28(1) Mo(26) .46172(4) .62361(8) .47623(2) .25(1) Sr(1) .22722(5) .5032(1) .39136(3) .56(1) Sr(2) .33117(5) .4966(1) .72070(3) .64(1) Sr(3) .11374(6) -.0085(1) .56290(3) 1.22(2) Sr(4) .59749(5) .5068(1) .95915(3) .76(1) Ga(1) .11256(6) .1378(1) .24194(3) .42(1) Ga(2) .92023(6) .3620(1) .70342(3) .41(1) Ga(3) .03472(6) .0540(1) .69414(4) .48(2) O(1) .4665(3) .0042(7) .6434(2) .47(8) O(2) .5398(4) .2385(6) .6907(2) .40(9) O(3) .5026(4) .2518(6) .0841(2) .33(9) O(4) .7138(4) .2404(6) .7288(2) .42(9) O(5) .6873(4) .2362(6) .1177(2) .51(9) O(6) .6439(4) .2459(6) .5102(2) .49(9) O(7) .3514(3) .0104(7) .3174(2) .50(9) O(8) .3962(3) .0026(7) .4354(2) .53(9) O(9) .8589(4) .2454(7) .1527(2) .57(9) O(10) .8219(4) .2572(6) .5477(2) .44(9) O(11) .0030(4) .2531(6) .0826(2) .49(9) O(12) .0384(3) -.0053(7) .3591(2) .37(8) O(13) .9244(3) .9989(7) .5381(2) .42(8) O(14) .2482(4) .2423(7) .8363(2) .57(9) O(15) .2868(4) .2452(6) .9407(2) .54(9) O(16) .4246(4) .2458(6) .8693(2) .51(9) O(17) .0695(4) .2611(7) .8009(2) .8(1) O(18) .1094(4) .2518(6) .4056(2) .41(9) O(19) .1432(4) .2487(6) .5142(2) .34(9) O(20) .1764(4) .4874(7) .7887(2) .60(9) O(21) .7532(3) .9974(6) .5010(2) .40(8) O(22) .5691(4) .2549(7) .2970(2) .54(9) O(23) .5289(3) .0112(7) .8593(2) .48(9) O(24) .6522(4) .4891(7) .6762(2) .9(1) O(25) .3867(4) .2332(7) .2599(2) .57(9) O(26) .5063(4) .5074(7) .2522(2) .78(9) O(27) .8199(3) .0133(6) .2171(2) .42(8) O(28) .8901(4) .2361(7) .2645(2) .54(9) O(29) .8501(3) -.0036(7) .3219(2) .52(9) O(30) .7433(4) .2509(6) .3328(2) .48(9) O(31) .3606(4) .2397(7) .1577(2) .59(9) O(32) .1801(4) .2508(7) .1182(2) .6(1) O(33) .7107(3) -.0011(7) .3880(2) .55(9) O(34) .6035(4) .2409(7) .4075(2) .62(9) O(35) .2164(4) .2455(6) .2252(2) .44(9) O(36) .9614(4) .4947(7) .6456(2) .84(9) O(37) .0344(4) .2578(6) .6928(2) .43(9) O(38) .0040(3) .0037(6) .2438(2) .29(8) O(39) .9227(4) .2767(7) .8745(2) .73(9) O(40) .8553(4) -.0062(7) .8178(2) 1.0(1) O(41) .9205(3) .9958(7) .0414(2) .57(9) O(42) .9642(4) .2520(7) .4742(2) .65(9) O(43) .7864(4) .2429(6) .9395(2) .39(9) O(44) .7484(3) .9991(7) .0053(2) .44(8) O(45) .3249(4) .2422(6) .0515(2) .52(9) O(46) .7083(3) .0018(7) .8861(2) .36(8) O(47) .6127(3) .4979(7) .5721(2) .43(8) O(48) .4687(4) .2762(6) .9827(2) .48(9) _cod_database_code 2005240