#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/08/1520801.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_1520801 loop_ _publ_author_name 'Ayyappan, S.' 'Chang, J.-S.' 'Stock, N.' 'Hatfield, R.' 'Rao, C.N.R.' 'Cheetham, A.K.' _publ_section_title ; Synthesis, characterization and acid-base catalytic properties of ammonium-containing tin(II) phopshates: (N H4) (Sn4 P3 O12) and (N H4) (Sn P O4) ; _journal_name_full 'International Journal of Inorganic Materials' _journal_page_first 21 _journal_page_last 27 _journal_volume 2 _journal_year 2000 _chemical_formula_sum 'H4 N O4 P Sn' _chemical_name_systematic '(N H4) (Sn P O4)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.95 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.52 _cell_length_b 9.4794 _cell_length_c 8.0719 _cell_volume 498.821 _citation_journal_id_ASTM IJIMCR _cod_data_source_file Ayyappan_IJIMCR_2000_1686.cif _cod_data_source_block H4N1O4P1Sn1 _cod_original_cell_volume 498.8208 _cod_original_formula_sum 'H4 N1 O4 P1 Sn1' _cod_database_code 1520801 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O4 O-2 0.0418 0.3766 0.8636 1 0.0 O1 O-2 0.8879 0.3628 0.5753 1 0.0 O2 O-2 0.6552 0.3896 0.8184 1 0.0 Sn1 Sn+2 0.17229 0.2053 -0.01327 1 0.0 N1 N-3 0.6426 0.3908 0.1686 1 0.0 O3 O-2 0.893 0.59 0.7374 1 0.0 P1 P+5 0.86436 0.4274 0.75082 1 0.0