#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000157.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_9000157 _space_group_IT_number 50 _symmetry_space_group_name_Hall '-P 2ab 2b' _symmetry_space_group_name_H-M 'P b a n :2' _[local]_cod_cif_authors_sg_H-M 'P b a n' loop_ _publ_author_name 'Moore P B' _publ_section_title ; Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4) ; _journal_name_full 'American Mineralogist' _journal_page_first 1603 _journal_page_last 1613 _journal_volume 52 _journal_year 1967 _chemical_formula_sum 'Y As Mn2 O8 H4' _chemical_name_mineral Retzian _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.67 _cell_length_b 12.03 _cell_length_c 4.863 _cell_volume 331.706 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,-y,z 1/2-x,y,-z -x,1/2+y,z x,1/2-y,-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_U_iso_or_equiv Y 0.25000 0.25000 0.00000 0.00076 As 0.75000 0.25000 0.50000 0.00557 Mn 0.25000 0.55480 0.00000 0.01026 O 0.57690 0.31980 0.30450 0.01381 O-H 0.57830 0.57700 0.20100 0.01368