###############################################################################
# Sheu Hwo Shuenn;Shih Wei Ju;Chuang Weit Sung;Li Ifang;Yeh Chen Sheng (2010)
# Journal of the Chinese Chemical Society (Taipei) 57, 938-945
# Crystal structure and phase transitions of Gd (C O3) (O H) studied by \
# synchrotron powder diffraction
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_168980-ICSD
_database_code_ICSD                168980
_audit_creation_date               2011-02-01
_chemical_name_systematic
'Digadolinium trioxide'
_chemical_formula_structural       
'Gd2 O3'
_chemical_formula_sum              
'Gd2 O3'
_publ_section_title                
'Gd2 O3'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of the Chinese Chemical Society ' 2010 57 938 945 JCCTAC
loop_
_publ_author_name
Sheu Hwo Shuenn;Shih Wei Ju;Chuang Weit Sung;Li Ifang;Yeh Chen Sheng
_cell_length_a                     10.8906(1)
_cell_length_b                     10.8906(1)
_cell_length_c                     10.8906(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       1291.6803
_cell_formula_units_Z              16.000
_symmetry_space_group_name_H-M     'I a -3'
_symmetry_Int_Tables_number        206
_refine_ls_R_factor_all            0.0244
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   '-z, x, y+1/2'
   2   'z, x+1/2, -y'
   3   'z+1/2, -x, y'
   4   '-z, -x, -y'
   5   'y+1/2, -z, x'
   6   '-y, z, x+1/2'
   7   'y, z+1/2, -x'
   8   '-y, -z, -x'
   9   'x, y+1/2, -z'
  10   'x+1/2, -y, z'
  11   '-x, y, z+1/2'
  12   '-x, -y, -z'
  13   'z, -x, -y+1/2'
  14   '-z, -x+1/2, y'
  15   '-z+1/2, x, -y'
  16   'z, x, y'
  17   '-y+1/2, z, -x'
  18   'y, -z, -x+1/2'
  19   '-y, -z+1/2, x'
  20   'y, z, x'
  21   '-x, -y+1/2, z'
  22   '-x+1/2, y, -z'
  23   'x, -y, -z+1/2'
  24   'x, y, z'
  25   '-z+1/2, x+1/2, y'
  26   'z+1/2, x, -y+1/2'
  27   'z, -x+1/2, y+1/2'
  28   '-z+1/2, -x+1/2, -y+1/2'
  29   'y, -z+1/2, x+1/2'
  30   '-y+1/2, z+1/2, x'
  31   'y+1/2, z, -x+1/2'
  32   '-y+1/2, -z+1/2, -x+1/2'
  33   'x+1/2, y, -z+1/2'
  34   'x, -y+1/2, z+1/2'
  35   '-x+1/2, y+1/2, z'
  36   '-x+1/2, -y+1/2, -z+1/2'
  37   'z+1/2, -x+1/2, -y'
  38   '-z+1/2, -x, y+1/2'
  39   '-z, x+1/2, -y+1/2'
  40   'z+1/2, x+1/2, y+1/2'
  41   '-y, z+1/2, -x+1/2'
  42   'y+1/2, -z+1/2, -x'
  43   '-y+1/2, -z, x+1/2'
  44   'y+1/2, z+1/2, x+1/2'
  45   '-x+1/2, -y, z+1/2'
  46   '-x, y+1/2, -z+1/2'
  47   'x+1/2, -y+1/2, -z'
  48   'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Gd3+     3.
O2-     -2.
Gd3+     3.
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_B_iso_or_equiv
_atom_site_occupancy
Gd1 Gd3+ 8 b 0.25 0.25 0.25 0.035(1) 1.
O1 O2- 48 e 0.3904(9) 0.1513(9) 0.379(1) 0.020(2) 1.
Gd2 Gd3+ 24 d 0.9710(1) 0. 0.25 0.0373(6) 1.
#End of data_168980-ICSD