#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/01/2310147.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310147
loop_
_publ_author_name
'McDonald, T. R. R.'
'Spink, Jenifer M.'
_publ_section_title
;
 The crystal structure of a double oxalate of yttrium and ammonium,
 NH₄Y(C₂O₄)₂.H₂O
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica'
_journal_page_first              944
_journal_page_last               949
_journal_paper_doi               10.1107/S0365110X67004104
_journal_volume                  23
_journal_year                    1967
_chemical_formula_moiety         'N H4 Y (C2 O4)2, H2 O'
_chemical_formula_sum            'C4 H6 N O9 Y'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.2(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.18(1)
_cell_length_b                   6.09(1)
_cell_length_c                   7.89(1)
_cell_volume                     441.1(10)
_cod_data_source_file            a05805.cif
_cod_data_source_block           a05805
_cod_depositor_comments          'Adding Fobs data.'
_cod_database_code               2310147
_cod_database_fobs_code          2310147
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x+1/2,y,-z+1/2
3 -x,-y,-z
4 x-1/2,-y,z-1/2
loop_
_atom_site_type_symbol
_atom_site_attached_hydrogens
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y 0 Y 0.7500(0) 0.1045(2) 0.7500(0)
C 0 C(1) 0.4556(14) 0.0967(20) 0.5347(18)
C 0 C(2) 0.5140(15) 0.1071(22) 0.0473(17)
O 0 O(1) 0.3256(12) 0.1104(18) 0.4913(13)
O 0 O(2) 0.5227(11) 0.2283(16) 0.6323(13)
O 0 O(3) 0.4356(10) 0.1551(14) 0.1704(11)
O 0 O(4) 0.8840(10) 0.2286(14) 0.5104(12)
O 2 H2O 0.2500(0) 0.5108(21) 0.2500(0)
N 4 NH4 0.2500(0) 0.4853(33) 0.7500(0)
