#------------------------------------------------------------------------------ #$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $ #$Revision: 846 $ #$URL: svn://www.crystallography.net/cod/cif/2/2004959.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_2004959 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 1334 _journal_page_last 1336 _publ_section_title ; K~2~MoO~2~As~2~O~7~ ; _chemical_formula_moiety 'K2 Mo O2 As2 O7' _chemical_formula_sum 'As2 K2 Mo O9' _chemical_formula_structural 'K2 Mo O2 As2 O7' _chemical_formula_weight 467.98 _symmetry_cell_setting 'monoclinic' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _symmetry_space_group_name_H-M 'P 21/n' _cell_length_a 7.429(2) _cell_length_b 13.906(9) _cell_length_c 9.157(2) _cell_angle_alpha 90.00 _cell_angle_beta 110.72(2) _cell_angle_gamma 90.00 _cell_volume 884.8(6) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 3.513 _cell_measurement_temperature 293(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mo1 1 .24575(6) .21715(3) .66940(5) .00890(10) As1 1 .17481(7) .15904(4) .30494(6) .00900(10) As2 1 .31886(7) .16579(4) .03156(6) .00950(10) K1 1 .3208(2) .41040(10) .3620(2) .0272(3) K2 1 .2068(2) .45140(10) .8743(2) .0334(4) O1 1 .2824(5) .0548(3) .3508(4) .0189(9) O2 1 .4356(5) .3436(3) .7243(4) .0135(8) O3 1 .2518(5) .2375(3) .4566(4) .0136(8) O4 1 .2516(5) .2249(3) .1741(4) .0173(8) O5 1 .2062(5) .0638(3) .9845(4) .0211(9) O6 1 .0577(5) .3392(3) .6098(4) .0137(8) O7 1 .2401(5) .2466(3) .8826(4) .0147(8) O8 1 .0597(5) .1371(3) .6124(4) .0169(9) O9 1 .4374(5) .1412(3) .7328(4) .0179(9)