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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016295.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_9016295
loop_
_publ_author_name
'Le Bail, A.'
_publ_section_title
;
 On the structure of Na5V2P3O14*(H2O)
 _cod_database_code 1000145
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               282
_journal_paper_doi               10.1006/jssc.1993.1033
_journal_volume                  102
_journal_year                    1993
_chemical_formula_sum            'Na5 O15 P3 V2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.134
_cell_angle_gamma                90
_cell_length_a                   6.3089
_cell_length_b                   20.10379
_cell_length_c                   5.1172
_cell_formula_units_Z            2
_cell_volume                     648.902
_database_code_amcsd             0013763
_exptl_crystal_density_diffrn    2.814
_cod_original_formula_sum        'V2 P3 Na5 O15'
_cod_database_code               9016295
_amcsd_formula_title             Na5V2P3O14*(H2O)
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
V 0.50000 0.84891 0.50000
P1 0.00280 0.81446 0.50010
P2 0.35000 0.00000 0.45820
Na1 0.16870 0.91420 0.99050
Na2 0.74580 0.75990 0.02390
Na3 0.82130 0.00000 0.40450
O1 0.75800 0.00000 0.90400
O2 0.01470 0.81120 0.79480
O3 0.50030 0.84560 0.81640
O4 0.80590 0.85240 0.39850
O5 0.49970 0.75650 0.37500
O6 0.19610 0.85040 0.38870
O7 0.49790 0.94040 0.38820
O8 0.15310 0.00000 0.28460
O9 0.30440 0.00000 0.74600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013763
