#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002633.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_2002633
_chemical_name_systematic          'Aluminium gallium vanadate (0.9/0.1/1)'
_chemical_formula_structural       '(Al0.886 Ga0.114) (V O4)'
_chemical_formula_sum            'Al0.886 Ga0.114 O4 V'
_[local]_cod_chemical_formula_sum_orig 'Al.886 Ga.114 O4 V'
_publ_section_title                'Ein Beitrag zur Phase Al0.89 Ga0.11 V O4'
loop_
_publ_author_name
  'Mueller, C'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    201
_journal_year                      1993
_journal_page_first                L15
_journal_page_last                 L17
_cell_length_a                     6.550(3)
_cell_length_b                     7.772(6)
_cell_length_c                     9.145(6)
_cell_angle_alpha                  96.24(5)
_cell_angle_beta                   107.11(5)
_cell_angle_gamma                  101.45(5)
_cell_volume                       429.1
_cell_formula_units_Z              6
_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
  Al3+   3.000
  Ga3+   3.000
  V5+    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
  Al1   Al3+   2 i 0.7453(3) 0.6996(2) 0.4070(2) 0.91  0 d
  Ga1   Ga3+   2 i 0.7453(3) 0.6996(2) 0.4070(2) 0.09  0 d
  Al2   Al3+   2 i 0.9604(3) 0.3082(2) 0.0072(2) 0.92  0 d
  Ga2   Ga3+   2 i 0.9604(3) 0.3082(2) 0.0072(2) 0.08  0 d
  Al3   Al3+   2 i 0.4622(2) 0.8840(2) 0.2107(2) 0.83  0 d
  Ga3   Ga3+   2 i 0.4622(2) 0.8840(2) 0.2107(2) 0.17  0 d
  V1    V5+    2 i 0.0023(2) 0.9959(1) 0.2546(1) 1.  0 d
  V2    V5+    2 i 0.1948(2) 0.6000(1) 0.3441(1) 1.  0 d
  V3    V5+    2 i 0.5153(2) 0.2991(1) 0.1258(1) 1.  0 d
  O1    O2-    2 i 0.639(1) 0.488(1) 0.254(1) 1.  0 d
  O2    O2-    2 i 0.259(1) 0.435(1) 0.433 1.  0 d
  O3    O2-    2 i 0.043(1) 0.697(1) 0.427(1) 1.  0 d
  O4    O2-    2 i 0.157(1) 0.097(1) 0.430(1) 1.  0 d
  O5    O2-    2 i 0.456(1) 0.743(1) 0.363 1.  0 d
  O6    O2-    2 i 0.751(1) 0.863(1) 0.264 1.  0 d
  O7    O2-    2 i 0.524(1) 0.121(1) 0.216(1) 1.  0 d
  O8    O2-    2 i 0.145(1) 0.866(1) 0.175 1.  0 d
  O9    O2-    2 i 0.356(1) 0.727(1) 0.024 1.  0 d
  O10   O2-    2 i 0.253(1) 0.296(1) 0.034(1) 1.  0 d
  O11   O2-    2 i 0.950(1) 0.147(1) 0.148(1) 1.  0 d
  O12   O2-    2 i 0.048(1) 0.523(1) 0.143 1.  0 d
_refine_ls_R_factor_all            0.052
_cod_database_code 2002633