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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014196.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_9014196
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 1000079
;
_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            'K 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                   6.7550
_cell_length_b                   9.1026
_cell_length_c                   17.0808
_cell_volume                     1050.265
_database_code_amcsd             0012523
_exptl_crystal_density_diffrn    2.745
_[local]_cod_chemical_formula_sum_orig 'K V P O6'
_cod_database_code               9014196
_amcsd_formula_title             K(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
K 0.27660 0.81240 0.10050
V 0.01750 0.94830 0.76060
P 0.80740 0.88760 0.59590
O1 0.88030 0.74320 0.55520
O2 0.76060 0.00340 0.52890
O3 0.10760 0.86570 0.85610
O4 0.48240 0.95370 0.84960
O5 -0.01990 0.88150 0.22460
O6 0.21520 0.10540 0.22380