#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2004958.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_2004958 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1326 _journal_page_last 1329 _publ_section_title ; Two Hydrous Divalent-Metal Diarsenates ; _chemical_formula_iupac 'Zn2 As2 O7 , 2H2 O' _chemical_formula_moiety 'Zn2 As2 O7 (H2 O)2' _chemical_formula_sum 'As2 H4 O9 Zn2' _chemical_formula_weight 428.6 _symmetry_cell_setting 'Monoclinic' loop_ _symmetry_equiv_pos_as_xyz x,y,z -1/2+x,1/2-y,1/2+z -x,-y,-z _symmetry_space_group_name_H-M 'P 21/n' _cell_length_a 6.496(21) _cell_length_b 14.211(6) _cell_length_c 7.628(4) _cell_angle_alpha 90 _cell_angle_beta 93.91(4) _cell_angle_gamma 90 _cell_volume 702.3(10) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 4.025 _cell_measurement_temperature 296 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn(1) -.0456(3) .2477(1) .6381(2) .022(1) Zn(2) -.2617(3) .3867(1) .9155(2) .017(1) As(1) .4436(2) .3139(1) .5532(1) .003(1) As(2) .2390(2) .4189(1) .8449(1) .002(1) O(1) .6547(14) .2880(6) .6840(10) .008(2) O(2) .4838(13) .3453(6) .3500(10) .006(1) O(3) .2660(13) .2314(6) .5751(9) .005(1) O(4) .3357(14) .4172(5) .6399(10) .006(2) O(5) .1835(14) .5319(5) .8723(10) .006(2) O(6) .4311(13) .3721(5) .9739(10) .006(1) O(7) .0282(13) .3512(5) .8346(9) .004(1) O(8) -.0571(17) .3444(7) .4253(12) .019(3) O(9) -.2565(16) .4960(7) .7390(13) .016(3)