#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005226.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_2005226 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1867 _journal_page_last 1869 _publ_section_title ; Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate ; _chemical_formula_iupac 'Li Ni2 P3 O10' _chemical_formula_moiety 'Li Ni2 P3 O10' _chemical_formula_sum 'Li Ni2 O10 P3' _chemical_formula_weight 377.3 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z '-x,-y,-z' '-x,1/2+y,-z' x,1/2-y,z _symmetry_space_group_name_H-M 'P 21/m' _cell_length_a 4.576(1) _cell_length_b 8.356(1) _cell_length_c 8.921(1) _cell_angle_alpha 90 _cell_angle_beta 98.08(1) _cell_angle_gamma 90 _cell_volume 337.77(5) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 3.709 _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 Ni1 .0366(1) .0691(1) .3363(1) .007(1) Li1 0 0 0 .030(4) P1 .4637(3) .25 .1452(1) .006(1) P2 -0.6669(3) .25 .8209(1) .006(1) P3 -0.3979(3) .25 .5346(1) .006(1) O11 .2891(6) .0985(3) .1597(3) .008(1) O12 .7700(9) .25 .2381(4) .009(1) O21 -0.432(1) .25 .7100(4) .011(1) O22 -0.4459(9) .25 .9756(4) .008(1) O23 -0.8400(7) .0985(3) .8107(3) .010(1) O31 -0.2283(6) .0972(3) .5129(3) .008(1) O32 -0.7074(9) .25 .4462(4) .009(1)