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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/1/53/99/1539983.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_1539983
loop_
_publ_author_name
'Zakharova, B.S.'
'Ilyukhin, A.B.'
'Chudinova, N.N.'
_publ_section_title
;
 Synthesis and crystal structure of Nd H ( P O3 H)2
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2004
_journal_page_last               2007
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'H3 Nd O6 P2'
_chemical_name_systematic        'Nd H (H P O3)2'
_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                 114.77
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3332
_cell_length_b                   9.2161
_cell_length_c                   8.859
_cell_volume                     617.772
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Zakharova_ZNOKAQ_2003_488.cif
_cod_data_source_block           H3Nd1O6P2
_cod_original_cell_volume        617.7719
_cod_original_formula_sum        'H3 Nd1 O6 P2'
_cod_database_code               1539983
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
O2 O-2 0.6244 -0.257 0.8675 1 0.0
H2 H+1 0.085 -0.37 0.539 1 0.0
O6 O-2 0.2269 -0.2321 0.3985 1 0.0
O1 O-2 0.5662 -0.0546 0.6542 1 0.0
P2 P+3 0.0503 -0.27692 0.40571 1 0.0
O3 O-2 0.3555 -0.0954 0.7699 1 0.0
H3 H+1 0.29 -0.151 0.81 0.41 0.0
H4 H+1 0.267 -0.288 0.391 0.59 0.0
P1 P+3 0.55477 -0.11019 0.81042 1 0.0
O5 O-2 -0.0658 -0.365 0.2613 1 0.0
H1 H+1 0.665 -0.026 0.947 1 0.0
O4 O-2 -0.0186 -0.1323 0.4361 1 0.0
Nd1 Nd+3 0.24724 0.0323 0.49149 1 0.0
