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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103798.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_8103798
loop_
_publ_author_name
'Wildner, M.'
'Stoilova, D.'
_publ_section_title
;
 Crystal structures and crystal chemical relationships of kroehnkite- and
 collinsite-type compounds Na2 Me(2+) (X O4)2 * 2(H2O) (X = S, Me = Mn,
 Cd; and X = Se, Me = Mn, Co, Ni, Zn, Cd) and K2Co (Se O4)2 * 2(H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              201
_journal_page_last               209
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'H4 Na2 Ni O10 Se2'
_chemical_name_systematic        'Na2 Ni (Se O4)2 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.14
_cell_angle_beta                 106.43
_cell_angle_gamma                108.58
_cell_formula_units_Z            1
_cell_length_a                   5.912
_cell_length_b                   7.182
_cell_length_c                   5.511
_cell_volume                     204.612
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Wildner_ZEKRDZ_2003_1115.cif
_cod_data_source_block           H4Na2Ni1O10Se2
_cod_original_cell_volume        204.6118
_cod_original_formula_sum        'H4 Na2 Ni1 O10 Se2'
_cod_database_code               8103798
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
O4 O-2 0.6289 0.375 0.7153 1 0.0
Na1 Na+1 0.2926 0.75 0.6692 1 0.0
O5 O-2 0.96 0.2693 0.0669 1 0.0
H2 H+1 0.894 0.29 -0.033 1 0.0
O2 O-2 0.2356 0.0575 0.3866 1 0.0
H1 H+1 0.096 0.362 0.129 1 0.0
Se1 Se+6 0.32968 0.23813 0.66159 1 0.0
O1 O-2 0.3263 0.1242 0.9004 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
O3 O-2 0.1587 0.3761 0.6447 1 0.0
