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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/1/53/37/1533790.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_1533790
loop_
_publ_author_name
'Vajeeston, P.'
'Ravindran, P.'
'Kjekshus, A.'
'Fjellvag, H.'
_publ_section_title
;
 Crystal structure of K Al H4 from first principle calculations
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              L7
_journal_page_last               L11
_journal_volume                  363
_journal_year                    2004
_chemical_formula_sum            'Al H4 K'
_chemical_name_systematic        'K (Al H4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.009
_cell_length_b                   5.767
_cell_length_c                   7.399
_cell_volume                     384.414
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Vajeeston_JALCEU_2004_1350.cif
_cod_data_source_block           H4Al1K1
_cod_original_cell_volume        384.4143
_cod_original_formula_sum        'H4 Al1 K1'
_cod_database_code               1533790
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
H3 H-1 0.4194 0.981 0.3127 1 0.0
H2 H-1 0.7055 0.25 0.9623 1 0.0
K1 K+1 0.1778 0.25 0.1621 1 0.0
Al1 Al+3 0.5663 0.25 0.8184 1 0.0
H1 H-1 0.4034 0.25 0.9184 1 0.0
