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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001468.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_1001468
_chemical_name_systematic          'Sodium vanadato(IV)phosphate'
_chemical_formula_structural       'Na (V P O5)'
_chemical_formula_sum              'Na O5 P V'
_publ_section_title
;
Synthesis and crystal structure of a new vanadium IV phosphate: NaVPO~5~
;
loop_
_publ_author_name
  'Benhamada, L'
  'Grandin, A'
  'Borel, M M'
  'Leclaire, A'
  'Raveau, B'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_coden_ASTM                CRAMED
_journal_volume                    314
_journal_year                      1992
_journal_page_first                585
_journal_page_last                 589
_cell_length_a                     6.5296(4)
_cell_length_b                     8.4643(7)
_cell_length_c                     7.1228(6)
_cell_angle_alpha                  90
_cell_angle_beta                   115.237(6)
_cell_angle_gamma                  90
_cell_volume                       356.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21 1'
_symmetry_Int_Tables_number        4
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V4+    4.000
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  V1    V4+    2 a 0.7464(1) 0.2617(1) 0.0285(1) 1.  0 d
  P1    P5+    2 a 0.2495(2) 0.4344(1) 0.2487(2) 1.  0 d
  Na1   Na1+   2 a 0.2473(4) 0.4129(3) 0.7167(4) 1.  0 d
  O1    O2-    2 a 0.7486(6) 0.1793(4) -0.2528(6) 1.  0 d
  O2    O2-    2 a 0.8479(6) 0.0392(5) 0.1301(5) 1.  0 d
  O3    O2-    2 a 0.0612(6) 0.3282(5) 0.0919(5) 1.  0 d
  O4    O2-    2 a 0.6439(6) 0.4630(5) -0.1336(5) 1.  0 d
  O5    O2-    2 a 0.4282(6) 0.1793(5) -0.1006(6) 1.  0 d
_refine_ls_R_factor_all            0.035
_cod_database_code 1001468