#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/30/1533050.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_1533050
loop_
_publ_author_name
'Renaudin, G.'
'Gomes, S.'
'Keller, L.'
'Hagemann, H.'
'Yvon, K.'
_publ_section_title
;
 Structural and spectroscopic studies on the alkali borohydrides M B H4 (M
 = Na, K, Rb, Cs)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              98
_journal_page_last               106
_journal_volume                  375
_journal_year                    2004
_chemical_formula_sum            'B D4 K'
_chemical_name_systematic        'K (B D4)'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6836
_cell_length_b                   4.6836
_cell_length_c                   6.5707
_cell_volume                     144.136
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2004_1520.cif
_cod_data_source_block           D4B1K1
_cod_original_cell_volume        144.1356
_cod_original_formula_sum        'D4 B1 K1'
_cod_database_code               1533050
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
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
K1 K+1 0.75 0.25 0.25 1 0.0
D1 D-1 0.25 0.54 0.144 1 0.0
B1 B+3 0.75 0.25 0.75 1 0.0
