#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004885.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_9004885 loop_ _publ_author_name 'Losey, A.' 'Rakovan, J. F.' 'Hughes, J. M.' 'Francis, C. A.' 'Dyar, M. D.' _publ_section_title ; Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip89 Locality: G.E. Smith Quarry, Newport, New Hampshire ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1105 _journal_page_last 1115 _journal_volume 42 _journal_year 2004 _chemical_formula_sum 'Fe0.687 Li Mg0.234 Mn0.089 O4 P' _chemical_name_mineral Triphylite _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 4.6904 _cell_length_b 10.2855 _cell_length_c 5.9871 _cell_volume 288.836 _exptl_crystal_density_diffrn 3.469 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_5655' _[local]_cod_chemical_formula_sum_orig 'Li Mn.089 Mg.234 Fe.687 P O4' _cod_database_code 9004885 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 _atom_site_occupancy _atom_site_U_iso_or_equiv Li 0.00000 0.00000 0.00000 1.00000 0.01963 Mn 0.97460 0.28164 0.25000 0.08900 0.00751 Mg 0.97460 0.28164 0.25000 0.23400 0.00751 Fe 0.97460 0.28164 0.25000 0.68700 0.00751 P 0.41690 0.09476 0.25000 1.00000 0.00747 O1 0.74120 0.09830 0.25000 1.00000 0.01051 O2 0.20550 0.45600 0.25000 1.00000 0.01026 O3 0.28270 0.16550 0.04650 1.00000 0.01064