#------------------------------------------------------------------------------
#$Date: 2017-03-27 07:13:23 +0200 (lun 27 de mar de 2017) $
#$Revision: 194538 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107017.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_2107017
loop_
_publ_author_name
'Kojic-Prodic, B.'
'Liminga, R.'
'Scavnicar, S.'
_publ_section_title
;
 The crystal structure of cesium oxobisoxalatobisaquoniobate(V) dihydrate,
 Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              864
_journal_page_last               869
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'C4 H8 Cs Nb O13'
_chemical_name_systematic        'Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.911
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.464
_cell_length_b                   11.8697
_cell_length_c                   7.9518
_cell_volume                     602.744
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kojic-Prodic_ACBCAR_1973_668.cif
_cod_data_source_block           C4H8Cs1Nb1O13
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        602.7438
_cod_original_formula_sum        'C4 H8 Cs1 Nb1 O13'
_cod_database_code               2107017
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-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
O1 O-2 0.5569 0.25 0.03335 1 0.0 2
O4 O-2 0.71595 0.14737 0.58552 1 0.0 0
O3 O-2 0.35371 0.25 0.68806 1 0.0 0
O2 O-2 0.96138 0.25 0.89562 1 0.0 2
O6 O-2 0.62169 0.08241 0.86556 1 0.0 0
C2 C+3 0.34604 -7e-05 0.23314 1 0.0 0
O5 O-2 0.3564 0.09913 0.19838 1 0.0 0
Cs1 Cs+1 0.02091 0.25 0.34356 1 0.0 0
O8 O-2 0.11527 0.03776 0.8292 1 0.0 2
C1 C+3 0.71582 0.03863 0.59743 1 0.0 0
O7 O-2 0.24421 0.02719 0.50731 1 0.0 0
Nb1 Nb+5 0.38897 0.75 0.22917 1 0.0 0
