#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/28/2002808.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_2002808
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Wadewitz, C'
_publ_section_title
;
Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P
O4)2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              1290
_journal_page_last               1294
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Sr2 (V O) (As O4)2'
_chemical_formula_sum            'As2 O9 Sr2 V'
_chemical_name_systematic        'Distrontium oxovanadium bis(arsenate(V))'
_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                 115.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8716(13)
_cell_length_b                   16.30698(400)
_cell_length_c                   7.196(2)
_cell_volume                     726.8
_refine_ls_R_factor_all          0.0885
_cod_database_code               2002808
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 0.624210(5) 0. 1. 0 d
Sr2 Sr2+ 4 e 0.25 0.043120(4) 0. 1. 0 d
As1 As5+ 4 e 0.25 0.837260(5) 0. 1. 0 d
As2 As5+ 4 e 0.25 0.421970(4) 0. 1. 0 d
V1 V4+ 8 f 0.75060(3) 0.744910(11) 0.28071(2) 0.5 0 d
O1 O2- 4 e 0.25 0.21023(3) 0. 1. 0 d
O2 O2- 8 f 0.13327(5) 0.60266(2) 0.61226(5) 1. 0 d
O3 O2- 8 f 0.06354(6) 0.72766(2) 0.33242(6) 1. 0 d
O4 O2- 8 f 0.05767(7) 0.47930(3) 0.82991(7) 1. 0 d
O5 O2- 8 f 0.15413(6) 0.36065(2) 0.13399(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
As5+ 5.000
V4+ 4.000
O2- -2.000
_cod_duplicate_entry 2002793
