/usr/share/avogadro/crystals/oxides/Rh2O3.cif is in avogadro-data 1.2.0-3.
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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://cod.ibt.lt/cod/cif/1/1010584.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_1010584
_chemical_name_systematic 'Rhodium(III) oxide'
_chemical_formula_structural 'Rh2 O3'
_chemical_formula_sum 'O3 Rh2'
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO~3~
;
_space_group_IT_number 167
_symmetry_space_group_name_Hall '-P 3* 2n'
_symmetry_space_group_name_H-M 'R -3 c :R'
_[local]_cod_cif_authors_sg_H-M 'R -3 c R'
loop_
_publ_author_name 'Zachariasen, W H'
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_coden_ASTM SUNVAQ
_journal_volume 1928
_journal_year 1928
_journal_page_first 1
_journal_page_last 165
_cell_length_a 5.45(3)
_cell_length_b 5.45(3)
_cell_length_c 5.45(3)
_cell_angle_alpha 55.7(1)
_cell_angle_beta 55.7(1)
_cell_angle_gamma 55.7(1)
_cell_volume 103.0
_cell_formula_units_Z 2
_symmetry_cell_setting trigonal
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'y,z,x'
'z,x,y'
'-x,-y,-z'
'-y,-z,-x'
'-z,-x,-y'
'1/2+y,1/2+x,1/2+z'
'1/2+z,1/2+y,1/2+x'
'1/2+x,1/2+z,1/2+y'
'1/2-y,1/2-x,1/2-z'
'1/2-z,1/2-y,1/2-x'
'1/2-x,1/2-z,1/2-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rh3+ 3.000
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
Rh1 Rh3+ 4 c 0.10(1) 0.10(1) 0.10(1) 1. 0 d
O1 O2- 6 e -0.3 0.8 0.25 1. 0 d
_cod_database_code 1010584
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