#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002737.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_2002737
loop_
_publ_author_name
'Feldmann, J'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Kristallstrukturuntersuchung an einem Strontium-Vanadyl-Vanadat: Sr2 (V
O) V2 O8
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              43
_journal_page_last               46
_journal_volume                  50
_journal_year                    1995
_chemical_formula_structural     'Sr2 (V O) (V2 O8)'
_chemical_formula_sum            'O9 Sr2 V3'
_chemical_name_systematic        'Distrontium oxovanadium divanadate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.82(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.929(4)
_cell_length_b                   16.24599(300)
_cell_length_c                   7.260(8)
_cell_volume                     735.7
_refine_ls_R_factor_all          0.065
_cod_database_code               2002737
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_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_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
V5+ 4.670
O2- -2.000
