#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001519.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_1001519
_chemical_name_systematic          'Cadmium tecto-diphosphatodivanadate(IV)'
_chemical_formula_structural       'Cd (P2 V2 O10)'
_chemical_formula_sum              'Cd O10 P2 V2'
_publ_section_title
;
A new vanadium(IV) monophosphate Cd(VO)~2~(PO~4~)~2~
;
loop_
_publ_author_name
  'Leclaire, A'
  'Grandin, A'
  'Chardon, J'
  'Borel, M M'
  'Raveau, B'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    30
_journal_year                      1993
_journal_page_first                393
_journal_page_last                 400
_cell_length_a                     5.187(1)
_cell_length_b                     7.959(2)
_cell_length_c                     17.187(2)
_cell_angle_alpha                  90
_cell_angle_beta                   92.74(1)
_cell_angle_gamma                  90
_cell_volume                       708.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  V4+    4.000
  P5+    5.000
  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
  Cd1   Cd2+   4 e 0.10544(4) 0.21886(3) 0.18185(1) 1.  0 d
  V1    V4+    4 e 0.15619(9) 0.87532(6) 0.06829(3) 1.  0 d
  V2    V4+    4 e 0.45198(9) 0.03234(6) 0.35163(3) 1.  0 d
  P1    P5+    4 e 0.3604(1) 0.2676(1) 0.01572(4) 1.  0 d
  P2    P5+    4 e 0.3340(1) 0.43697(9) 0.31472(4) 1.  0 d
  O1    O2-    4 e 0.1933(5) 0.6957(3) 0.1096(1) 1.  0 d
  O2    O2-    4 e 0.8641(4) 0.8627(3) -0.0126(1) 1.  0 d
  O3    O2-    4 e -0.0954(4) 0.9900(3) 0.1410(1) 1.  0 d
  O4    O2-    4 e 0.3828(4) 0.8229(3) -0.0155(1) 1.  0 d
  O5    O2-    4 e 0.4144(4) 0.9896(3) 0.1422(1) 1.  0 d
  O6    O2-    4 e 0.2258(5) -0.0920(3) 0.3180(2) 1.  0 d
  O7    O2-    4 e 0.3199(4) 0.2444(3) 0.2995(1) 1.  0 d
  O8    O2-    4 e 0.6956(4) 0.0197(3) 0.2652(1) 1.  0 d
  O9    O2-    4 e 0.6691(4) 0.8566(3) 0.4044(1) 1.  0 d
  O10   O2-    4 e 0.3248(5) 0.1065(3) 0.4500(1) 1.  0 d
_refine_ls_R_factor_all            0.027