#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010660.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_1010660 loop_ _publ_author_name 'Hoard, J L' _publ_section_title ; An X-Ray investigation of the 12-molybdophosphates and related compounds ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 217 _journal_page_last 230 _journal_volume 84 _journal_year 1933 _chemical_formula_structural 'Sm (P Mo12 O40) (H2 O)30' _chemical_formula_sum 'H60 Mo12 O70 P Sm' _chemical_name_systematic 'Samarium dodecamolybdophosphate hydrate' _space_group_IT_number 227 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 23.1 _cell_length_b 23.1 _cell_length_c 23.1 _cell_volume 12326.4 _exptl_crystal_density_meas 2.6 _[local]_cod_cif_authors_sg_H-M 'F d -3 m Z' _cod_database_code 1010660 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/4-y,1/4-z 1/4-x,y,1/4-z 1/4-x,1/4-y,z y,z,x 1/4-y,1/4-z,x y,1/4-z,1/4-x 1/4-y,z,1/4-x z,x,y 1/4-z,x,1/4-y 1/4-z,1/4-x,y z,1/4-x,1/4-y x,z,y x,1/4-z,1/4-y 1/4-x,1/4-z,y 1/4-x,z,1/4-y y,x,z 1/4-y,x,1/4-z y,1/4-x,1/4-z 1/4-y,1/4-x,z z,y,x 1/4-z,1/4-y,x 1/4-z,y,1/4-x z,1/4-y,1/4-x -x,-y,-z -x,3/4+y,3/4+z 3/4+x,-y,3/4+z 3/4+x,3/4+y,-z -y,-z,-x 3/4+y,3/4+z,-x -y,3/4+z,3/4+x 3/4+y,-z,3/4+x -z,-x,-y 3/4+z,-x,3/4+y 3/4+z,3/4+x,-y -z,3/4+x,3/4+y -x,-z,-y -x,3/4+z,3/4+y 3/4+x,3/4+z,-y 3/4+x,-z,3/4+y -y,-x,-z 3/4+y,-x,3/4+z -y,3/4+x,3/4+z 3/4+y,3/4+x,-z -z,-y,-x 3/4+z,3/4+y,-x 3/4+z,-y,3/4+x -z,3/4+y,3/4+x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z x,3/4-y,3/4-z 1/2+x,1/4-y,3/4-z 1/2+x,3/4-y,1/4-z 1/4-x,1/2+y,3/4-z 3/4-x,y,3/4-z 3/4-x,1/2+y,1/4-z 1/4-x,3/4-y,1/2+z 3/4-x,1/4-y,1/2+z 3/4-x,3/4-y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x 1/4-y,3/4-z,1/2+x 3/4-y,1/4-z,1/2+x 3/4-y,3/4-z,x y,3/4-z,3/4-x 1/2+y,1/4-z,3/4-x 1/2+y,3/4-z,1/4-x 1/4-y,1/2+z,3/4-x 3/4-y,z,3/4-x 3/4-y,1/2+z,1/4-x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y 1/4-z,1/2+x,3/4-y 3/4-z,x,3/4-y 3/4-z,1/2+x,1/4-y 1/4-z,3/4-x,1/2+y 3/4-z,1/4-x,1/2+y 3/4-z,3/4-x,y z,3/4-x,3/4-y 1/2+z,1/4-x,3/4-y 1/2+z,3/4-x,1/4-y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y x,3/4-z,3/4-y 1/2+x,1/4-z,3/4-y 1/2+x,3/4-z,1/4-y 1/4-x,3/4-z,1/2+y 3/4-x,1/4-z,1/2+y 3/4-x,3/4-z,y 1/4-x,1/2+z,3/4-y 3/4-x,z,3/4-y 3/4-x,1/2+z,1/4-y y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z 1/4-y,1/2+x,3/4-z 3/4-y,x,3/4-z 3/4-y,1/2+x,1/4-z y,3/4-x,3/4-z 1/2+y,1/4-x,3/4-z 1/2+y,3/4-x,1/4-z 1/4-y,3/4-x,1/2+z 3/4-y,1/4-x,1/2+z 3/4-y,3/4-x,z z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x 1/4-z,3/4-y,1/2+x 3/4-z,1/4-y,1/2+x 3/4-z,3/4-y,x 1/4-z,1/2+y,3/4-x 3/4-z,y,3/4-x 3/4-z,1/2+y,1/4-x z,3/4-y,3/4-x 1/2+z,1/4-y,3/4-x 1/2+z,3/4-y,1/4-x -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -x,1/4+y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-x,1/4+y,3/4+z 3/4+x,1/2-y,1/4+z 1/4+x,-y,1/4+z 1/4+x,1/2-y,3/4+z 3/4+x,1/4+y,1/2-z 1/4+x,3/4+y,1/2-z 1/4+x,1/4+y,-z -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x 3/4+y,1/4+z,1/2-x 1/4+y,3/4+z,1/2-x 1/4+y,1/4+z,-x -y,1/4+z,1/4+x 1/2-y,3/4+z,1/4+x 1/2-y,1/4+z,3/4+x 3/4+y,1/2-z,1/4+x 1/4+y,-z,1/4+x 1/4+y,1/2-z,3/4+x -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y 3/4+z,1/2-x,1/4+y 1/4+z,-x,1/4+y 1/4+z,1/2-x,3/4+y 3/4+z,1/4+x,1/2-y 1/4+z,3/4+x,1/2-y 1/4+z,1/4+x,-y -z,1/4+x,1/4+y 1/2-z,3/4+x,1/4+y 1/2-z,1/4+x,3/4+y -x,1/2-z,1/2-y 1/2-x,-z,1/2-y 1/2-x,1/2-z,-y -x,1/4+z,1/4+y 1/2-x,3/4+z,1/4+y 1/2-x,1/4+z,3/4+y 3/4+x,1/4+z,1/2-y 1/4+x,3/4+z,1/2-y 1/4+x,1/4+z,-y 3/4+x,1/2-z,1/4+y 1/4+x,-z,1/4+y 1/4+x,1/2-z,3/4+y -y,1/2-x,1/2-z 1/2-y,-x,1/2-z 1/2-y,1/2-x,-z 3/4+y,1/2-x,1/4+z 1/4+y,-x,1/4+z 1/4+y,1/2-x,3/4+z -y,1/4+x,1/4+z 1/2-y,3/4+x,1/4+z 1/2-y,1/4+x,3/4+z 3/4+y,1/4+x,1/2-z 1/4+y,3/4+x,1/2-z 1/4+y,1/4+x,-z -z,1/2-y,1/2-x 1/2-z,-y,1/2-x 1/2-z,1/2-y,-x 3/4+z,1/4+y,1/2-x 1/4+z,3/4+y,1/2-x 1/4+z,1/4+y,-x 3/4+z,1/2-y,1/4+x 1/4+z,-y,1/4+x 1/4+z,1/2-y,3/4+x -z,1/4+y,1/4+x 1/2-z,3/4+y,1/4+x 1/2-z,1/4+y,3/4+x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?