data_2002737 _chemical_name_systematic 'Distrontium oxovanadium divanadate' _chemical_formula_structural 'Sr2 (V O) (V2 O8)' _chemical_formula_sum 'O9 Sr2 V3' _publ_section_title ; Kristallstrukturuntersuchung an einem Strontium-Vanadyl-Vanadat: Sr2 (V O) V2 O8 ; loop_ _publ_author_name 'Feldmann, J' 'Mueller-Buschbaum, Hk' _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_volume 50 _journal_year 1995 _journal_page_first 43 _journal_page_last 46 _cell_length_a 6.929(4) _cell_length_b 16.24599(300) _cell_length_c 7.260(8) _cell_angle_alpha 90 _cell_angle_beta 115.82(6) _cell_angle_gamma 90 _cell_volume 735.7 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I 1 2/a 1' _symmetry_Int_Tables_number 15 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-x,y,-z' '-x,-y,-z' '1/2+x,-y,z' '1/2+x,1/2+y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2-z' 'x,1/2-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 V5+ 4.670 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Sr1 Sr2+ 4 e 0.25 0.62731(4) 0. 1. 0 d Sr2 Sr2+ 4 e 0.25 0.04834(4) 0. 1. 0 d V1 V5+ 4 e 0.25 0.65976(6) -0.5 1. 0 d V2 V5+ 4 e 0.25 0.42071(6) 0. 1. 0 d V3 V5+ 8 f 0.7509(3) 0.74488(13) 0.2842(2) 0.5 0 d O1 O2- 4 e 0.75 0.7875(3) 0. 1. 0 d O2 O2- 8 f 0.1380(5) 0.5976(2) -0.3865(5) 1. 0 d O3 O2- 8 f 0.0547(6) 0.7240(2) -0.6696(6) 1. 0 d O4 O2- 8 f 0.0573(7) 0.4807(2) -0.1633(6) 1. 0 d O5 O2- 8 f 0.1512(6) 0.3607(2) 0.1417(6) 1. 0 d loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Sr1 0.0079(3) 0. 0.0005(2) 0.0107(3) 0. 0.0113(3) Sr2 0.0063(3) 0. 0.0024(2) 0.0080(3) 0. 0.0142(3) V1 0.0034(4) 0. 0.0017(3) 0.0056(4) 0. 0.0069(4) V2 0.0059(4) 0. 0.0027(3) 0.0055(4) 0. 0.0058(4) V3 0.0050(5) -0.0003(5) 0.0016(8) 0.0057(7) -0.0012(7) 0.0051(10) O1 0.031(2) 0. 0.011(2) 0.022(2) 0. 0.024(2) O2 0.0216(14) -0.0011(12) 0.0120(13) 0.0233(15) 0.0015(12) 0.028(2) O3 0.0197(14) 0.0027(12) 0.0087(12) 0.028(2) 0.0041(13) 0.029(2) O4 0.027(2) 0.0041(14) 0.0065(14) 0.029(2) 0.0072(14) 0.028(2) O5 0.024(2) 0.0030(12) 0.0130(13) 0.0201(13) 0.0047(12) 0.027(2) _refine_ls_R_factor_all 0.065