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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/10/1541005.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_1541005
loop_
_publ_author_name
'Stahl, R.'
'Jacobs, H.'
_publ_section_title
;
 Synthese und Kristallstruktur von Sr2 Zn (O H)6 und Ba2 Zn (O H)6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              17
_journal_page_last               20
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Ba2 H6 O6 Zn'
_chemical_name_systematic        'Ba2 Zn (O H)6'
_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                 91.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.043
_cell_length_b                   6.336
_cell_length_c                   8.451
_cell_volume                     323.501
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Stahl_ZAACAB_1998_1826.cif
_cod_data_source_block           H6Ba2O6Zn1
_cod_original_cell_volume        323.5011
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H6 Ba2 O6 Zn1'
_cod_database_code               1541005
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
O2 O-2 0.6738 0.2286 0.96 1 0.0
H3 H+1 0.12 0.21 0.066 1 0.0
O3 O-2 0.6802 0.2144 0.5481 1 0.0
Zn1 Zn+2 0 0 0.5 1 0.0
O1 O-2 0.086 0.0208 0.7397 1 0.0
H1 H+1 0.97 0.05 0.19 1 0.0
Ba1 Ba+2 0.47482 0.06387 0.24887 1 0.0
H2 H+1 0.74 0.22 0.962 1 0.0
