#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/13/4031388.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_4031388
loop_
_publ_author_name
'Beall, G.W.'
'Milligan, W.O.'
'Wolcott, H.A.'
_publ_section_title
;
 Structural trends in the lanthanide trihydroxides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              65
_journal_page_last               70
_journal_volume                  39
_journal_year                    1977
_chemical_formula_sum            'H3 O3 Y'
_chemical_name_systematic        'Y (O H)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.261
_cell_length_b                   6.261
_cell_length_c                   3.544
_cell_volume                     120.313
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Beall_JINCAO_1977_183.cif
_cod_data_source_block           H3O3Y1
_cod_original_cell_volume        120.3128
_cod_original_formula_sum        'H3 O3 Y1'
_cod_database_code               4031388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
O1 O-2 0.3958 0.3116 0.25 1 0.0
H1 H+1 0.28 0.17 0.25 1 0.0
Y1 Y+3 0.33333 0.66667 0.25 1 0.0
