#------------------------------------------------------------------------------ #$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005225.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_2005225 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 1867 _journal_page_last 1869 _publ_section_title ; Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate ; _chemical_formula_iupac 'Li Co2 P3 O10' _chemical_formula_moiety 'Li Co2 P3 O10' _chemical_formula_sum 'Co2 Li O10 P3' _chemical_formula_weight 377.7 _symmetry_cell_setting monoclinic _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _[local]_cod_cif_authors_sg_H-M 'P 21/m' loop_ _symmetry_equiv_pos_as_xyz x,y,z '-x,-y,-z' '-x,1/2+y,-z' x,1/2-y,z _cell_length_a 4.655(2) _cell_length_b 8.565(3) _cell_length_c 9.103(3) _cell_angle_alpha 90 _cell_angle_beta 97.80(1) _cell_angle_gamma 90 _cell_volume 359.4(2) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 3.49 _cell_measurement_temperature 298 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Co1 .0379(1) .0671(1) .3346(1) .024(1) P1 .4616(3) .25 .1433(2) .022(1) P2 -0.6675(3) .25 .8227(2) .023(1) P3 -0.3970(3) .25 .5361(3) .023(1) O11 .2861(6) .1012(4) .1564(3) .028(1) O12 .7615(9) .25 .2385(4) .026(1) O21 -0.4343(9) .25 .7111(4) .028(1) O22 -0.4433(9) .25 .9743(4) .024(8) O23 -0.8404(7) .1006(4) .8140(3) .029(1) O31 -0.2267(6) .1002(4) .5151(1) .025(1) O32 -0.6999(9) .25 .4465(4) .024(1) Li1 0 0 0 .047(5)