#------------------------------------------------------------------------------
#$Date: 2017-01-27 15:08:58 +0200 (Fri, 27 Jan 2017) $
#$Revision: 191025 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/57/1525771.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_1525771
loop_
_publ_author_name
'Lim, K.C.'
'Skelton, B.W.'
'White, A.H.'
_publ_section_title
;
 Structural systematics of rare earth complexes. XXII.
 ('Maximally')hydrated rare earth iodides
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              867
_journal_page_last               873
_journal_volume                  53
_journal_year                    2000
_chemical_formula_sum            'H18 Ho I3 O9'
_chemical_name_systematic        '(Ho (H2 O)9) I3'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.26
_cell_length_b                   7.933
_cell_length_c                   8.844
_cell_volume                     789.995
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Lim_AJCHAS_2000_102.cif
_cod_data_source_block           H18Ho1I3O9
_cod_original_cell_volume        789.9954
_cod_original_formula_sum        'H18 Ho1 I3 O9'
_cod_database_code               1525771
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-27
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,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
_atom_site_attached_hydrogens
Ho1 Ho+3 0.25 0.75 0.66857 1 0.0 0
O4 O-2 0.4396 0.75 0.793 1 0.0 2
O2 O-2 0.25 0.75 0.395 1 0.0 2
I1 I-1 0.49365 0.25 0.8312 1 0.0 0
O3 O-2 0.25 0.949 0.873 1 0.0 2
I2 I-1 0.75 0.75 0.6987 1 0.0 0
O1 O-2 0.3801 0.538 0.5677 1 0.0 2
