#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106517.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_2106517
loop_
_publ_author_name
'Harlow, R.L.'
'Simonsen, S.H.'
_publ_section_title
;
 The crystal and molecular structure of dipotassium
 trans-dicarbonato-tetraaquocobalt(II), trans-K2 (Co (Co3)2 (H2 O)4)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              466
_journal_page_last               470
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'C2 H8 Co K2 O10'
_chemical_name_systematic        'K2 (Co (C O3)2 (H2 O)4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.46
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.45
_cell_length_b                   6.184
_cell_length_c                   6.817
_cell_volume                     476.126
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Harlow_ACBCAR_1976_404.cif
_cod_data_source_block           C2H8Co1K2O10
_cod_original_cell_volume        476.1256
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C2 H8 Co1 K2 O10'
_cod_database_code               2106517
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
O5 O-2 0.55212 0.33189 0.25671 1 0.0
C1 C+4 0.32086 0.15262 0.57845 1 0.0
O2 O-2 0.21909 0.06173 0.53204 1 0.0
O4 O-2 0.5927 0.27205 0.7031 1 0.0
H1 H+1 0.633 0.325 0.821 1 0.0
H2 H+1 0.524 0.216 0.719 1 0.0
Co1 Co+2 0.5 0.5 0.5 1 0.0
H3 H+1 0.606 0.386 0.196 1 0.0
O3 O-2 0.39374 0.08714 0.73204 1 0.0
H4 H+1 0.576 0.207 0.267 1 0.0
K1 K+1 0.31494 0.14754 0.08588 1 0.0
O1 O-2 0.34941 0.30923 0.47004 1 0.0
