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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528589.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_1528589
loop_
_publ_author_name
'Hraiech, S.'
'Chehimi-Moumen, F.'
'Goutaudier, C.'
'Trabelsi-Ayadi, M.'
'Ben Hassan-Chehimi, D.'
_publ_section_title
;
 Synthesis, crystal structure and thermal behaviour of trihydrated acid
 holmium diphosphate H Ho P2 O7 * 3 H2 O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              991
_journal_page_last               997
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'H7 Ho O10 P2'
_chemical_name_systematic        'Ho (H P2 O7) (H2 O)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.554
_cell_angle_beta                 80.29
_cell_angle_gamma                88.485
_cell_formula_units_Z            2
_cell_length_a                   6.425
_cell_length_b                   6.912
_cell_length_c                   9.809
_cell_volume                     424.716
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Hraiech_SSSCFJ_2008_1571.cif
_cod_data_source_block           H7Ho1O10P2
_cod_original_cell_volume        424.7159
_cod_original_formula_sum        'H7 Ho1 O10 P2'
_cod_database_code               1528589
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
P1 P+5 0.1947 0.7662 0.4375 1 0.0
O1 O-2 -0.016 0.742 0.5313 1 0.0
H5 H+1 0.7632 0.6967 0.8263 1 0.0
O7 O-2 0.151 0.82 0.282 1 0.0
O6 O-2 0.755 0.771 0.3117 1 0.0
O10 O-2 0.493 0.31 0.969 0.5 0.0
H3 H+1 0.3331 0.6249 0.5976 1 0.0
O2 O-2 0.332 0.587 0.4443 1 0.0
H1 H+1 0.8885 0.7223 0.0338 1 0.0
O5 O-2 0.99 0.738 0.086 1 0.0
P2 P+5 0.942 0.8601 0.2117 1 0.0
O3 O-2 0.33 0.923 0.468 1 0.0
H4 H+1 0.7025 0.6452 0.7406 1 0.0
O11 O-2 0.06 0.12 0.988 0.5 0.0
O4 O-2 0.933 0.073 0.164 1 0.0
O8 O-2 0.335 0.633 0.7257 1 0.0
H2 H+1 0.1991 0.6844 0.8092 1 0.0
Ho1 Ho+3 0.62696 0.7396 0.547 1 0.0
O9 O-2 0.71 0.726 0.776 1 0.0