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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/1/52/97/1529703.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_1529703
loop_
_publ_author_name
'Bukin, V.I.'
_publ_section_title
;
 Neutron and x-ray diffraction investigation of crystalline structure
 neodymium hydroxocloride Nd (O H)2 Cl
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1332
_journal_page_last               1335
_journal_volume                  207
_journal_year                    1972
_chemical_formula_sum            'Cl H2 Nd O2'
_chemical_name_systematic        'Nd (O H)2 Cl'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.18
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.213
_cell_length_b                   3.876
_cell_length_c                   6.821
_cell_volume                     151.000
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Bukin_DANKAS_1972_382.cif
_cod_data_source_block           H2Cl1Nd1O2
_cod_original_cell_volume        151.0002
_cod_original_formula_sum        'H2 Cl1 Nd1 O2'
_cod_database_code               1529703
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Cl1 Cl-1 0.2446 0.75 0.4419 1 0.0
O2 O-2 0.5653 0.75 0.1642 1 0.0
H2 H+1 -0.302 0.75 0.294 1 0.0
Nd1 Nd+3 0.3102 0.25 0.1344 1 0.0
O1 O-2 0.1044 0.75 -0.084 1 0.0
H1 H+1 0.126 0.75 -0.228 1 0.0
