#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/48/1524839.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_1524839 loop_ _publ_author_name 'Maksimova, S.I.' 'Palkina, K.K.' 'Kuznetsov, V.G.' 'Loshchenov, V.B.' _publ_section_title ; Structure of crystals of rubidium lanthanide metaphosphate (Rb Ln (P O3)4) type and spectral-luminescent properties of M(I) Nd (P O3)4 ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 2959 _journal_page_last 2965 _journal_volume 23 _journal_year 1978 _chemical_formula_sum 'Nd O12 P4 Rb' _chemical_name_systematic 'Rb Nd (P O3)4' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 106.16 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.461 _cell_length_b 9.041 _cell_length_c 10.983 _cell_volume 997.706 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Maksimova_ZNOKAQ_1978_215.cif _cod_data_source_block Nd1O12P4Rb1 _cod_original_cell_volume 997.7063 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'Nd1 O12 P4 Rb1' _cod_database_code 1524839 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 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 O6 O-2 0.67254 -0.09414 -0.19438 1 0.0 P4 P+5 0.82391 -0.39705 0.02035 1 0.0 O8 O-2 0.68355 0.34157 -0.1636 1 0.0 P3 P+5 0.85601 0.40448 0.23939 1 0.0 Rb1 Rb+1 0.80362 0.07076 0.04227 1 0.0 Nd1 Nd+3 0.50001 -0.27313 -0.18355 1 0.0 O11 O-2 0.43049 -0.20425 -0.40989 1 0.0 O7 O-2 0.68429 -0.3461 -0.01481 1 0.0 O2 O-2 0.14632 -0.08372 0.21322 1 0.0 O4 O-2 0.96152 0.03458 0.32475 1 0.0 O10 O-2 0.4377 -0.25838 0.0143 1 0.0 O12 O-2 0.64323 0.04164 -0.396 1 0.0 O3 O-2 0.74062 0.31891 0.25292 1 0.0 O5 O-2 0.6016 0.03465 0.17711 1 0.0 P1 P+5 0.7495 -0.0268 -0.27457 1 0.0 O1 O-2 0.97848 0.29413 0.25019 1 0.0 O9 O-2 0.83556 0.44946 0.09764 1 0.0 P2 P+5 0.03984 0.17334 0.35901 1 0.0