#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:12:22 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179471 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/68/4336804.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_4336804
loop_
_publ_author_name
'Sang-Won Park'
'Hiroshi Mizoguchi'
'Katsuaki Kodama'
'Shin-ichi Shamoto'
'Toshiya Otomo'
'Satoru Matsuishi'
'Toshio Kamiya'
'Hideo Hosono'
_publ_contact_author_address     'Tokyo Inst. Tech., Japan'
_publ_contact_author_email       hosono@lucid.msl.titech.ac.jp
_publ_contact_author_name        Hosono
_publ_section_title
;
 Magnetic Structure and Electromagnetic Properties of LnCrAsO with a
 ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13363
_journal_page_last               13368
_journal_paper_doi               10.1021/ic401487q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'As Cr Nd O'
_chemical_formula_sum            'As Cr Nd O'
_chemical_name_common            'Neodymium chromium oxyarsenide'
_chemical_name_mineral           NdCrAsO
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.97000(7)
_cell_length_b                   3.97000(7)
_cell_length_c                   8.8760(3)
_cell_volume                     139.894(6)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5413
_exptl_crystal_colour            black
_cod_data_source_file            ic401487q_si_001_2.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4336804
loop_
_symmetry_equiv_pos_as_xyz
'-x, -y, -z'
'-x, y+1/2, -z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y, z'
'-y, -x, -z'
'-y, x+1/2, -z'
'-y+1/2, -x+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'y, x, z'
'y+1/2, -x, -z'
'y+1/2, x+1/2, -z'
'x, -y+1/2, z'
'x, y, z'
'x+1/2, -y, -z'
'x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Nd Nd+3 2 0.25 0.25 0.1346(1) 1 0.26(3)
Cr Cr 2 0.75 0.25 0.5 1 0.20(8)
As As 2 0.25 0.25 0.6688(2) 1 0.59(7)
O O-2 2 0.75 0.25 0 1 0.2(2)
