#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007044.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_1007044
_chemical_name_systematic          'Hexasodium decavanadate 18-hydrate'
_chemical_formula_structural       'NA6 V10 O28 (H2 O)18'
_chemical_formula_sum              'H36 Na6 O46 V10'
_publ_section_title
;
Structure d'un Decavanadate d'Hexasodium Hydrate
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    36
_journal_year                      1980
_journal_page_first                680
_journal_page_last                 682
_cell_length_a                     11.65(5)
_cell_length_b                     10.85(5)
_cell_length_c                     8.56(1)
_cell_angle_alpha                  101.23(5)
_cell_angle_beta                   99.44(5)
_cell_angle_gamma                  105.48(5)
_cell_volume                       995.7
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V5+    5.000
  Na1+   1.000
  O2-   -2.000
  H1+    1.000
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    V5+    2 i 0.24848(7) 0.18579(8) 0.30990(9) 1.  0 d
  V2    V5+    2 i 0.98662(6) 0.99462(7) 0.18646(8) 1.  0 d
  V3    V5+    2 i 0.27435(7) 0.19310(8) 0.95980(9) 1.  0 d
  V4    V5+    2 i 0.05858(6) 0.26773(7) 0.08439(6) 1.  0 d
  V5    V5+    2 i 0.20280(6) 0.92350(7) 0.04948(9) 1.  0 d
  Na1   Na1+   2 i 0.6920(2) 0.2429(2) 0.4758(3) 1.  0 d
  Na2   Na1+   2 i -0.0251(2) 0.2639(2) 0.4601(3) 1.  0 d
  Na3   Na1+   2 i 0.4875(2) 0.6432(2) 0.2789(2) 1.  0 d
  O1    O2-    2 i 0.1139(2) 0.0825(3) 0.0594(3) 1.  0 d
  O2    O2-    2 i 0.1586(3) 0.3061(3) 0.2855(4) 1.  0 d
  O3    O2-    2 i 0.6223(3) 0.7357(3) 0.1233(4) 1.  0 d
  O4    O2-    2 i 0.9291(3) 0.1427(3) 0.1552(4) 1.  0 d
  O5    O2-    2 i 0.8178(3) 0.6881(3) 0.0226(4) 1.  0 d
  O6    O2-    2 i 0.2527(3) 0.7979(3) 0.0378(4) 1.  0 d
  O7    O2-    2 i 0.0910(3) 0.0814(3) 0.3615(3) 1.  0 d
  O8    O2-    2 i 0.0055(3) 0.3915(4) 0.0943(3) 1.  0 d
  O9    O2-    2 i 0.8597(3) 0.9097(3) 0.2401(4) 1.  0 d
  O10   O2-    2 i 0.0503(3) 0.8518(3) 0.1279(3) 1.  0 d
  O11   O2-    2 i 0.2754(3) 0.0230(3) 0.2603(4) 1.  0 d
  O12   O2-    2 i 0.3458(3) 0.2513(3) 0.1790(4) 1.  0 d
  O13   O2-    2 i 0.6977(3) -0.0285(3) 0.0459(4) 1.  0 d
  O14   O2-    2 i 0.6702(3) 0.7469(3) 0.5063(4) 1.  0 d
  O15   O2-    2 i 0.5572(3) 0.4559(3) 0.2382(4) 1.  2 d
  O16   O2-    2 i 0.7955(4) 0.0850(4) 0.4647(5) 1.  2 d
  O17   O2-    2 i 0.8423(3) 0.6303(4) 0.3385(4) 1.  2 d
  O18   O2-    2 i 0.3288(3) 0.5713(3) 0.0383(4) 1.  2 d
  O19   O2-    2 i 0.3526(3) 0.5553(3) 0.4411(4) 1.  2 d
  O20   O2-    2 i 0.1128(4) 0.6614(4) 0.2995(4) 1.  2 d
  O21   O2-    2 i 0.8318(4) 0.3591(4) 0.3300(4) 1.  2 d
  O22   O2-    2 i 0.4546(5) 0.8532(4) 0.3719(6) 1.  2 d
  O23   O2-    2 i 0.5535(4) 0.0908(5) 0.2308(6) 1.  2 d
  H1    H1+    2 i -1. -1. -1. 18.  0 dum
_refine_ls_R_factor_all            0.03
_cod_database_code 1007044