#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005612.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_2005612
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2668
_journal_page_last 	2670
_publ_section_title 	
;
(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~
Groups
;
_chemical_formula_iupac 	'(N H4)2 (V O) (V P) O7'
_chemical_formula_sum 	'H8 N2 O8 P1 V2'
_chemical_formula_structural 	'(N H4)2 V O V P O7'
_chemical_formula_weight 	296.9
_symmetry_cell_setting 	tetragonal
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,z'
 '-y,x,z'
 'y,-x,z'
 '1/2+x,1/2-y,z'
 '1/2-x,1/2+y,z'
 '1/2-y,1/2-x,z'
 '1/2+y,1/2+x,z'
_symmetry_space_group_name_H-M 	'P 4 b m'
_cell_length_a 	8.6233(6)
_cell_length_b 	8.6233(6)
_cell_length_c 	5.6384(7)
_cell_angle_alpha 	90.0
_cell_angle_beta 	90.0
_cell_angle_gamma 	90.0
_cell_volume 	419.28(8)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	2.35
_exptl_crystal_density_meas 	none
_cell_measurement_temperature 	294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 P 0.36969(4) 0.13031(4) 0.06353 0.0097(5)
 V2 0.36969(4) 0.13031(4) 0.06353 0.0135(5)
 V1 0. 0. 0.0593(4) 0.01329(9)
 O1 0.5 0.5 0.3436(9) 0.0279(9)
 O2 0.3699(3) 0.1301(3) 0.3440(6) 0.0218(5)
 O3 0.7019(2) 0.4169(3) -0.0402(5) 0.0261(5)
 O4 0.5 0. -0.035(1) 0.045(1)
 N 0.1701(3) 0.3299(3) 0.585(1) 0.0420(9)