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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/4/03/14/4031484.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_4031484
loop_
_publ_author_name
'Palmer, R.A.'
'Giles, H.F.jr.'
_publ_section_title
;
 Crystal structure and absolute configuration of cobalt-doped
 alpha-hexaaquazinc(II) selenate
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              977
_journal_page_last               980
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Co0.38 H12 O10 Se Zn0.62'
_chemical_name_systematic        'Zn0.62 Co0.38 (H2 O)6 (Se O4)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.953
_cell_length_b                   6.953
_cell_length_c                   18.33
_cell_volume                     886.149
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Palmer_JCDTBI_1978_331.cif
_cod_data_source_block           H12Co0.38O10Se1Zn0.62
_cod_original_cell_volume        886.1494
_cod_original_formula_sum        'H12 Co0.38 O10 Se1 Zn0.62'
_cod_database_code               4031484
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
Co1 Co+2 0.2159 0.2159 0 0.38 0.0
Zn1 Zn+2 0.2159 0.2159 0 0.62 0.0
O1 O-2 0.173 0.955 0.0537 1 0.0
O2 O-2 0.476 0.257 0.0569 1 0.0
Se1 Se+6 0.7146 0.7146 0 1 0.0
O5 O-2 0.955 0.673 0.007 1 0.0
O3 O-2 0.363 0.069 0.912 1 0.0
O4 O-2 0.618 0.618 0.073 1 0.0
