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#$Date: 2015-10-10 06:06:49 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164848 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/69/1536941.cif $
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#
# 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_1536941
loop_
_publ_author_name
'Koz'min, P.A.'
'Abbasova, T.A.'
'Osmanov, N.S.'
'Surazhskaya, M.D.'
'Kotel'nikova, A.S.'
'Tagiev, I.B.'
'Larina, T.B.'
_publ_section_title
;
 Synthesis and crystal structure of K2 (Re6 Br14) * 2.5(H2 O) compounds
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              449
_journal_page_last               451
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'K2 O2.5'
_chemical_name_systematic        'K2 Re6 Br14 (H2 O)2.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.29
_cell_angle_beta                 102.72
_cell_angle_gamma                99.38
_cell_formula_units_Z            2
_cell_length_a                   9.896
_cell_length_b                   10.423
_cell_length_c                   14.492
_cell_volume                     1422.087
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kozmin_ZNOKAQ_1993_1438.cif
_cod_data_source_block           K2O2.5
_cod_database_code               1536941
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
O1 O-2 0.499 0.717 0.15 1 0.0
O2 O-2 0.408 0.98 0.525 0.5 0.0
K2 K+1 0.403 0.829 0.317 1 0.0
O3 O-2 0.492 0.868 -0.006 1 0.0
K1 K+1 0.208 0.27 0.7852 1 0.0
