#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002780.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_2002780
loop_
_publ_author_name
'Wadewitz, C'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Synthese und Struktur eines Strontium-Vanadyl-Phosphats: Sr (V O) (P
O4)2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              929
_journal_page_last               933
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Sr2 (V O) (P O4)2'
_chemical_formula_sum            'O9 P2 Sr2 V'
_chemical_name_systematic
;
Distrontium oxovanadium(IV) bis(phosphate(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                 115.412(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.744(4)
_cell_length_b                   15.866(4)
_cell_length_c                   7.032(2)
_cell_volume                     679.6
_refine_ls_R_factor_all          0.0578
_cod_database_code               2002780
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 0.624320(2) 0. 1. 0 d
Sr2 Sr2+ 4 e 0.25 0.040720(3) 0. 1. 0 d
P1 P5+ 4 e 0.25 0.835940(6) 0. 1. 0 d
P2 P5+ 4 e 0.25 0.421410(7) 0. 1. 0 d
V1 V4+ 8 f 0.75108(2) 0.744570(7) 0.279280(13) 0.5 0 d
O1 O2- 4 e 0.25 0.20809(2) 0. 1. 0 d
O2 O2- 8 f 0.14337(3) 0.607220(15) 0.60853(3) 1. 0 d
O3 O2- 8 f 0.06922(4) 0.724210(14) 0.34079(3) 1. 0 d
O4 O2- 8 f 0.07162(4) 0.475290(15) 0.83712(4) 1. 0 d
O5 O2- 8 f 0.15581(4) 0.362550(14) 0.12194(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
P5+ 5.000
V4+ 4.000
O2- -2.000
