#------------------------------------------------------------------------------
#$Date: 2015-10-09 15:28:33 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161971 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/68/2106882.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_2106882
loop_
_publ_author_name
'Beall, G.W.'
'Milligan, W.O.'
'Dillin, D.R.'
'Williams, R.'
'McCoy, J.'
_publ_section_title
;
 Refinement of neodymium trihydroxide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2227
_journal_page_last               2229
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'H3 Nd O3'
_chemical_name_systematic        'Nd (O H)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.422
_cell_length_b                   6.422
_cell_length_c                   3.742
_cell_volume                     133.652
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Beall_ACBCAR_1976_1503.cif
_cod_data_source_block           H3Nd1O3
_cod_original_cell_volume        133.6519
_cod_chemical_formula_sum_orig   'H3 Nd1 O3'
_cod_database_code               2106882
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Nd1 Nd+3 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.399 0.322 0.25 1 0.0