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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/1/53/98/1539843.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_1539843
loop_
_publ_author_name
'Bortz, M.'
'Yvon, K.'
'Fischer, P.'
_publ_section_title
;
 Synthesis and structure determination of complex zinc hydrides part 2.
 Tripotassiumtetrahydridozincate(II) hydride, K3[Zn H4]H
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              43
_journal_page_last               45
_journal_volume                  216
_journal_year                    1994
_chemical_formula_sum            'D5 K3 Zn'
_chemical_name_systematic        'K3 Zn D5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5819
_cell_length_b                   7.5819
_cell_length_c                   11.1671
_cell_volume                     641.943
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bortz_JALCEU_1994_1019.cif
_cod_data_source_block           D5K3Zn1
_cod_original_cell_volume        641.9431
_cod_original_formula_sum        'D5 K3 Zn1'
_cod_database_code               1539843
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
D1 D 0 0 0 1 0.0
K2 K 0.6829 0.1829 0 1 0.0
Zn1 Zn 0 0.5 0.25 1 0.0
D2 D 0.1242 0.6242 0.1619 1 0.0
K1 K 0 0 0.25 1 0.0
