#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010280.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_1010280
_chemical_name_systematic          'Praseodymium oxide - A'
_chemical_formula_structural       'Pr2 O3'
_chemical_formula_sum              'O3 Pr2'
_publ_section_title
;
Die Kristallstruktur der A-Modifikation von den Sesquioxiden der
seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~
)
;
_publ_author_name                  'Zachariasen, W H'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_coden_ASTM                ZPCLAH
_journal_volume                    123
_journal_year                      1926
_journal_page_first                134
_journal_page_last                 150
_cell_length_a                     3.85
_cell_length_b                     3.85
_cell_length_c                     6.
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       77.0
_cell_formula_units_Z              1
_exptl_crystal_density_meas        6.88
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pr3+   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
  Pr1   Pr3+   2 d 0.3333 0.6667 0.25(1) 1.  0 d
  O1    O2-    3 e 0.25(5) 0.25(5) 0. 1.  0 d