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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015441.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015441
loop_
_publ_author_name
'Amoros, P.'
'Beltran-Porter D'
'Le Bail, A.'
'Ferey, G.'
'Villeneuve, G.'
_publ_section_title
;
 Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
 from X-ray powder diffraction
 _cod_database_code 1000080
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              599
_journal_page_last               607
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'N O6 P V'
_space_group_IT_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_length_a                   6.8064
_cell_length_b                   9.2567
_cell_length_c                   17.732
_cell_volume                     1117.201
_database_code_amcsd             0012524
_exptl_crystal_density_diffrn    2.282
_cod_original_formula_sum        'N V P O6'
_cod_database_code               9015441
_amcsd_formula_title             NH4(VO2)(HPO4)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N 0.27200 0.81130 0.09530
V 0.02300 0.95870 0.75870
P 0.81220 0.89880 0.60090
O1 0.86300 0.74760 0.56200
O2 0.76700 0.01580 0.53950
O3 0.10700 0.88560 0.85320
O4 0.48700 0.95000 0.84930
O5 -0.02000 0.87770 0.23130
O6 0.20700 0.09700 0.22600