#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001741.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_4001741
loop_
_publ_author_name
'Ren, M.'
'Su, M.Z.'
'Dong, Y.'
'You, L.P.'
'Yang, L.Q.'
'Lin, J.-H.'
_publ_section_title
;
 Structure and phase transformation of Gd B O3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1576
_journal_page_last               1580
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'B Gd O3'
_chemical_name_systematic        'Gd (B O3)'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   6.6357
_cell_length_b                   6.6357
_cell_length_c                   26.706
_cell_volume                     1018.387
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            boron0-1_269.cif
_cod_data_source_block           B1Gd1O3
_cod_original_formula_sum        'B1 Gd1 O3'
_cod_database_code               4001741
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B+3 0.76 0 0 1 0.0
B2 B+3 0.76 0 0.5 1 0.0
O3 O-2 0 0.214 0 1 0.0
O2 O-2 0.021 0.673 0.049 1 0.0
Gd1 Gd+3 0.3358 -0.0014 0.082 1 0.0
O4 O-2 0 0.202 0.5 1 0.0
O1 O-2 -0.009 0.667 0.12 1 0.0
