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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/1/53/30/1533049.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_1533049
loop_
_publ_author_name
'Renaudin, G.'
'Yvon, K.'
'Hagemann, H.'
'Gomes, S.'
'Keller, L.'
_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           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7074
_cell_length_b                   6.7074
_cell_length_c                   6.7074
_cell_volume                     301.761
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2004_1519.cif
_cod_data_source_block           D4B1K1
_cod_original_cell_volume        301.7607
_cod_original_formula_sum        'D4 B1 K1'
_cod_database_code               1533049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
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z,-y,x
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x,y,-z
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-x,y,z
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x,-y,z
y,x,z
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z,x,-y
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z,-x,y
x,z,y
-y,-z,-x
-y,z,x
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y,z,-x
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z,x+1/2,y+1/2
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z,y+1/2,-x+1/2
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-z+1/2,x,-y+1/2
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z+1/2,y,-x+1/2
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-x+1/2,y,z+1/2
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z+1/2,-x+1/2,y
x+1/2,z+1/2,y
-y+1/2,-z+1/2,-x
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-z+1/2,-y+1/2,x
y+1/2,-z+1/2,x
z+1/2,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
B1 B+3 0.5 0.5 0.5 1 0.0
K1 K+1 0 0 0 1 0.0
D1 D-1 0.6029 0.6029 0.6029 0.5 0.0
