#------------------------------------------------------------------------------ #$Date: 2015-07-13 05:12:25 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149350 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106364.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106364 loop_ _publ_author_name 'Koizumi, H.' 'Nakano, J.' _publ_section_title ; Rubidium neodymium metaphosphate ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 2680 _journal_page_last 2684 _journal_volume 33 _journal_year 1977 _chemical_formula_sum 'Nd O12 P4 Rb' _chemical_name_systematic 'Nd Rb (P4 O12)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 112.34 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.845 _cell_length_b 12.691 _cell_length_c 10.688 _cell_volume 984.240 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Koizumi_ACBCAR_1977_597.cif _cod_data_source_block Nd1O12P4Rb1 _cod_original_cell_volume 984.2398 _cod_chemical_formula_sum_orig 'Nd1 O12 P4 Rb1' _cod_database_code 2106364 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-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 Nd1 Nd+3 0 0.1281 0.25 1 0.0 O6 O-2 0.0173 0.258 0.4184 1 0.0 O2 O-2 0.1489 0.0554 0.1059 1 0.0 O3 O-2 0.4108 0.1266 0.0616 1 0.0 O5 O-2 0.2983 0.2183 0.3259 1 0.0 O4 O-2 0.0904 0.8198 0.4108 1 0.0 P1 P+5 0.2034 0.0837 0.9925 1 0.0 P2 P+5 0.0253 0.7273 0.0589 1 0.0 O1 O-2 0.2945 0.4973 0.1077 1 0.0 Rb1 Rb+1 0 0.4365 0.25 1 0.0