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#$Date: 2015-09-12 18:43:07 +0300 (Sat, 12 Sep 2015) $
#$Revision: 156098 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530869.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_1530869
loop_
_publ_author_name
'Theobald, F.R.'
'Theobald, J.G.'
'Vedrine, J.C.'
'Clad, R.'
'Renard, J.'
_publ_section_title
;
 Crystal Growth, Structure, Electron Paramagnetic Resonance and Magnetic
 Properties of (N H4)2 V3 O8
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              581
_journal_page_last               587
_journal_volume                  45
_journal_year                    1984
_chemical_formula_sum            'H8 N2 O8 V3'
_chemical_name_systematic        '(N H4)2 V3 O8'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.891
_cell_length_b                   8.891
_cell_length_c                   5.582
_cell_volume                     441.256
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Theobald_JPCSAW_1984_1237.cif
_cod_data_source_block           H8N2O8V3
_cod_original_cell_volume        441.2564
_cod_database_code               1530869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O4 O-2 0.5 0 -0.1072 1 0.0
N1 N-3 0.3303 -0.1697 0.5383 1 0.0
V1 V+5 0.1335 -0.3665 0.0054 1 0.0
O3 O-2 0.1932 0.0851 -0.1026 1 0.0
H2 H+1 0.2806 -0.2194 0.432 1 0.0
H1 H+1 0.3914 -0.1086 0.469 1 0.0
O1 O-2 0 0 0.2957 1 0.0
H3 H+1 0.2679 -0.119 0.622 1 0.0
O2 O-2 0.1304 -0.3696 0.3027 1 0.0
V2 V+4 0 0 0 1 0.0
