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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/1/54/10/1541081.cif $
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#
# 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_1541081
loop_
_publ_author_name
'Palkina, K.K.'
'Tananaev, I.V.'
'Chibiskova, N.T.'
'Maksimova, S.I.'
'Mironova, V.S.'
_publ_section_title
;
 The crystal structures of Ln H P2 O6 (H2 O)4 (Ln= Gd, Dy, Ho) and the
 variation in the p-p bond length in the hypophosphate anion for Ln= Nd -
 Yb
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1790
_journal_page_last               1792
_journal_volume                  32
_journal_year                    1987
_chemical_formula_sum            'Gd H9 O10 P2'
_chemical_name_systematic        'Gd H (P2 O6) (H2 O)4'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2n 2b'
_symmetry_space_group_name_H-M   'P b n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.22
_cell_length_b                   9.927
_cell_length_c                   11.588
_cell_volume                     830.546
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Palkina_ZNOKAQ_1987_475.cif
_cod_data_source_block           H9Gd1O10P2
_cod_original_sg_symbol_Hall     '-P 2a 2bc (z,x,y)'
_cod_original_formula_sum        'H9 Gd1 O10 P2'
_cod_database_code               1541081
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z
-x+1/2,y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y,-z
-x,y-1/2,z
x-1/2,-y,z-1/2
x-1/2,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
H5 H+1 0.07 0.35 0.13 1 0.0
O4 O-2 0.6879 0.4036 0.111 1 0.0
P1 P+4 0.4166 0.0295 0.0743 1 0.0
O3 O-2 0.0584 0.342 0.2036 1 0.0
H1 H+1 0.06 0.43 0.22 1 0.0
H3 H+1 0.04 0.14 0.06 1 0.0
H2 H+1 0.27 0.25 0 1 0.0
H4 H+1 0.12 0.87 0.04 1 0.0
O5 O-2 0.9045 0.1291 0.0891 1 0.0
O1 O-2 0.9577 0.0866 0.334 1 0.0
O2 O-2 0.2235 0.1334 0.4696 1 0.0
Gd1 Gd+3 0.25 0.73999 0.25 1 0.0
