#------------------------------------------------------------------------------
#$Date: 2017-10-13 02:08:28 +0200 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002285.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_2002285
loop_
_publ_author_name
'Hubbert-Paletta, E'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Roentgenographische Untersuchung an Einkristallen von monoklinem Tb2 O3
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              145
_journal_page_last               150
_journal_paper_doi               10.1002/zaac.19683630306
_journal_volume                  363
_journal_year                    1968
_chemical_formula_structural     'Tb2 O3'
_chemical_formula_sum            'O3 Tb2'
_chemical_name_systematic        'Terbium oxide - B'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.10(5)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   14.03(1)
_cell_length_b                   3.536(5)
_cell_length_c                   8.717(5)
_cell_volume                     425.7
_refine_ls_R_factor_all          0.093
_cod_database_code               2002285
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-z
1/2-x,1/2+y,-z
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
Tb1 Tb3+ 4 i 0.1349 0.5 0.4886 1. 0 d
Tb2 Tb3+ 4 i 0.1901 0.5 0.1384 1. 0 d
Tb3 Tb3+ 4 i 0.4666 0.5 0.1871 1. 0 d
O1 O2- 4 i 0.128 0. 0.276 1. 0 d
O2 O2- 4 i 0.327 0.5 0.024 1. 0 d
O3 O2- 4 i 0.293 0.5 0.373 1. 0 d
O4 O2- 4 i 0.478 0. 0.335 1. 0 d
O5 O2- 2 b 0. 0.5 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tb3+ 3.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 140187
