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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106612.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106612
loop_
_publ_author_name
'Wang, Y.'
'Heyding, R.D.'
'Gabe, E.J.'
'Calvert, L.D.'
'Taylor, J.B.'
_publ_section_title
;
 Neodymium diarsenide: a single-crysatal structure refinement
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1959
_journal_page_last               1961
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'As2 Nd'
_chemical_name_systematic        'Nd As2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.718
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.1081
_cell_length_b                   6.8201
_cell_length_c                   10.4431
_cell_volume                     280.224
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Wang_ACBCAR_1978_1290.cif
_cod_data_source_block           As2Nd1
_cod_original_cell_volume        280.2239
_cod_original_formula_sum        'As2 Nd1'
_cod_database_code               2106612
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
As1 As 0.461 0.6436 0.1708 1 0.0
As2 As 0.2727 0.3777 0.4503 1 0.0
Nd1 Nd 0.9124 0.3126 0.1402 1 0.0
