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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530314.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_1530314
loop_
_publ_author_name
'Louer, D.'
'Louer, M.'
_publ_section_title
;
 Crystal structure of Nd (O H)2 N O3 (H2 O) completely solved and refined
 from X-ray powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              292
_journal_page_last               299
_journal_volume                  68
_journal_year                    1987
_chemical_formula_sum            'H4 N Nd O6'
_chemical_name_systematic        'Nd (O H)2 (N O3) (H2 O)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.996
_cell_length_b                   3.875
_cell_length_c                   6.282
_cell_volume                     467.888
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Louer_JSSCBI_1987_1404.cif
_cod_data_source_block           H4N1Nd1O6
_cod_original_cell_volume        467.8879
_cod_original_formula_sum        'H4 N1 Nd1 O6'
_cod_database_code               1530314
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
O5 O-2 0.008 0.5 0.123 0.5 0.0
O7 O-2 0.0835 0 -0.135 1 0.0
O6 O-2 0.058 0.203 0.332 0.5 0.0
O1 O-2 0.2782 0.5 0.384 1 0.0
Nd1 Nd+3 0.2082 0 0.1923 1 0.0
O3 O-2 0.1428 0.5 0.248 1 0.0
N1 N+5 0.08 0.5 0.296 1 0.0
O2 O-2 0.1939 0.5 -0.048 1 0.0
O4 O-2 0.089 0.5 0.512 0.5 0.0
