#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2005763.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_2005763 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 2967 _journal_page_last 2969 _publ_section_title ; La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~ ; _chemical_formula_iupac 'Li2 Nb0.5 In1.5 (P O4)3' _chemical_formula_moiety 'Li2 In1.5 Nb0.5 (P O4 )3' _chemical_formula_sum 'In1.5 Li2 Nb0.5 O12 P3' _chemical_formula_weight 517.48 _symmetry_cell_setting monoclinic _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_cif_authors_sg_H-M 'P 21/n' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2+x,1/2-y,1/2+z' _cell_length_a 8.648(2) _cell_length_b 8.8428(7) _cell_length_c 12.316(2) _cell_angle_alpha 90 _cell_angle_beta 90.13(2) _cell_angle_gamma 90 _cell_volume 941.9(3) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 3.649 _exptl_crystal_density_meas 3.59(6) _cell_measurement_temperature 293 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_u_iso_or_equiv Li(1)a .590(3) .407(5) .187(2) .03(2) Li(2)b .771(4) .285(2) .170(2) .07(2) Li(3) .213(3) .789(2) .170(2) .08(1) M(1)c .24491(4) .46416(4) .10693(3) .0115(2) M(2)c .74965(4) .96076(5) .10883(3) .0137(2) P(1) .4567(2) .7501(2) .0008(1) .0118(6) P(2) .1071(2) .1083(2) .1517(1) .0107(6) P(3) .8943(2) .6110(2) .1526(1) .0118(6) O(11) .5485(6) .8305(7) .0874(4) .041(3) O(12) .4506(5) .3647(6) .0619(4) .035(3) O(13) .6049(6) .1426(6) .0852(4) .040(3) O(14) .3155(5) .6798(6) .0581(5) .039(3) O(21) .1915(8) .0568(7) .0516(5) .056(4) O(22) .9344(5) .1170(6) .1351(5) .040(3) O(23) .1390(6) -.0094(5) .2390(4) .037(3) O(24) .1659(5) .2644(5) .1886(3) .018(2) O(31) .8683(6) .5912(6) .0321(4) .033(3) O(32) .8028(6) .4953(6) .2188(4) .031(2) O(33) .8520(5) .7732(5) .1865(4) .024(2) O(34) .0671(5) .5895(6) .1794(4) .031(2)