#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/09/9010955.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9010955 loop_ _publ_author_name 'Mitchell, R. H.' 'Alexander, M.' 'Cranswick, L. M. D.' 'Swainson, I. P.' _publ_section_title ; A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Locality: synthetic Sample: T = 3.6 K ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 705 _journal_page_last 712 _journal_paper_doi 10.1007/s00269-007-0188-0 _journal_volume 34 _journal_year 2007 _chemical_formula_sum 'F3 Mg Na' _chemical_name_mineral Neighborite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.3287 _cell_length_b 5.4811 _cell_length_c 7.6335 _cell_volume 222.953 _diffrn_ambient_temperature 3.6 _exptl_crystal_density_diffrn 3.107 _cod_original_formula_sum 'Na Mg F3' _cod_database_code 9010955 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,y,1/2-z -x,-y,1/2+z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z 1/2-x,1/2+y,z 1/2+x,1/2-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na 0.98610 0.04880 0.25000 Mg 0.00000 0.50000 0.00000 F1 0.09330 0.46990 0.25000 F2 0.70060 0.29560 0.04830