#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/02/5910281.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_5910281
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 51 & 52 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_journal_name_full               'The Structure of Crystals'
_journal_page_first              51
_journal_page_last               52
_journal_volume                  4
_journal_year                    1951
_chemical_formula_structural     K2ReH9
_chemical_formula_sum            'H9 K2 Re'
_chemical_name_systematic        'potassium rhenium hydride'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_audit_creation_date             2006-24-10
_audit_creation_method
;
Pages 51 & 52 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.607
_cell_length_b                   9.607
_cell_length_c                   5.508
_cell_volume                     440.251
_cod_original_formula_sum        'K2 Re H9'
_cod_database_code               5910281
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,-z
-y,x-y,z
-x+y,-x,z
x-y,-y,-z
-x,-x+y,-z
y,x,-z
x,y,-z
y,x,z
x-y,-y,z
-x,-x+y,z
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Re1
0.33333 0.66667 0.50000 Re2
-0.33333 -0.66667 -0.50000 Re3
0.58810 0.00000 0.00000 K1
0.00000 0.58810 0.00000 K2
-0.58810 -0.58810 0.00000 K3
0.26100 0.00000 0.50000 K4
0.00000 0.26100 0.50000 K5
-0.26100 -0.26100 0.50000 K6
0.17890 0.00000 0.00000 H1
0.00000 0.17890 0.00000 H2
-0.17890 -0.17890 0.00000 H3
0.87890 0.00000 0.21710 H4
0.00000 0.87890 0.21710 H5
-0.87890 -0.87890 0.21710 H6
0.87890 0.00000 -0.21710 H7
0.00000 0.87890 -0.21710 H8
-0.87890 -0.87890 -0.21710 H9
0.14830 0.62500 0.50000 H10
-0.62500 -0.47670 0.50000 H11
0.47670 -0.14830 0.50000 H12
0.62500 0.14830 0.50000 H13
-0.14830 0.47670 0.50000 H14
-0.47670 -0.14830 0.50000 H15
0.22400 0.52540 0.71250 H16
-0.52540 -0.30140 0.71250 H17
0.30140 -0.22400 0.71250 H18
0.22400 0.52540 -0.71250 H19
-0.52540 -0.30140 -0.71250 H20
0.30140 -0.22400 -0.71250 H21
0.52540 0.22400 0.71250 H22
-0.52540 0.30140 0.71250 H23
-0.30140 -0.52540 0.71250 H24
0.52540 0.22400 -0.71250 H25
-0.22400 0.30140 -0.71250 H26
-0.30140 -0.52540 -0.71250 H27
