#------------------------------------------------------------------------------
#$Date: 2017-10-16 01:16:12 +0300 (Mon, 16 Oct 2017) $
#$Revision: 202026 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010281.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_1010281
loop_
_publ_author_name
'Zachariasen, W H'
_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~
)
;
_journal_coden_ASTM              ZPCLAH
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_page_first              134
_journal_page_last               150
_journal_volume                  123
_journal_year                    1926
_chemical_formula_structural     'Nd2 O3'
_chemical_formula_sum            'Nd2 O3'
_chemical_name_systematic        'Neodymium oxide - A'
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.84
_cell_length_b                   3.84
_cell_length_c                   6.01
_cell_volume                     76.7
_exptl_crystal_density_meas      7.24
_cod_database_code               1010281
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_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
Nd1 Nd3+ 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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nd3+ 3.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 140158
2 AMCSD 0017207