#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002836.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_2002836
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Meyer, S'
'Mertens, B'
_publ_section_title
;
Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate:
Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              985
_journal_page_last               988
_journal_volume                  52
_journal_year                    1997
_chemical_formula_structural     'Sr Zn (V O) (P O4)2'
_chemical_formula_sum            'O9 P2 Sr V Zn'
_chemical_name_systematic
;
Strontium zinc oxovanadium bis(phosphate(V))
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.0661(10)
_cell_length_b                   9.0117(10)
_cell_length_c                   17.51288(100)
_cell_volume                     1430.8
_refine_ls_R_factor_all          0.1031
_cod_database_code               2002836
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,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+ 8 c 0.15008(5) 0.93859(5) 0.40264(2) 1. 0 d
Zn1 Zn2+ 8 c 0.19717(6) 0.92381(6) 0.06610(3) 1. 0 d
V1 V4+ 8 c 0.00273(8) 0.25002(8) 0.28773(4) 1. 0 d
P1 P5+ 8 c 0.24367(15) 0.50078(12) 0.22873(6) 1. 0 d
P2 P5+ 8 c 0.43275(12) 0.76813(11) 0.49191(6) 1. 0 d
O1 O2- 8 c 0.9184(4) 0.7599(4) 0.5943(2) 1. 0 d
O2 O2- 8 c 0.1535(4) 0.0933(3) 0.2792(2) 1. 0 d
O3 O2- 8 c 0.3204(4) 0.8859(4) 0.5151(2) 1. 0 d
O4 O2- 8 c 0.9562(4) 0.2635(4) 0.1999(2) 1. 0 d
O5 O2- 8 c 0.4002(4) 0.6199(4) 0.5338(2) 1. 0 d
O6 O2- 8 c 0.3428(4) 0.4029(3) 0.1739(2) 1. 0 d
O7 O2- 8 c 0.5905(4) 0.8125(4) 0.5137(2) 1. 0 d
O8 O2- 8 c 0.1615(4) 0.4039(3) 0.2868(2) 1. 0 d
O9 O2- 8 c 0.1400(4) 0.5892(3) 0.1770(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Zn2+ 2.000
V4+ 4.000
P5+ 5.000
O2- -2.000
