#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510713.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_1510713
loop_
_publ_author_name
'Nowotny, H.'
'Rogl, P.'
'Benesovsky, F.'
_publ_section_title
;
 Komplexboride in den Systemen Hf-Mo-B und Hf-W-B
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              971
_journal_page_last               984
_journal_volume                  102
_journal_year                    1971
_chemical_formula_sum            'B2 Hf9 Mo3'
_chemical_name_systematic        'Hf9 Mo3 B2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.565
_cell_length_b                   8.565
_cell_length_c                   8.493
_cell_volume                     539.568
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            boron_199.cif
_cod_data_source_block           B2Hf9Mo3
_cod_original_cell_volume        539.5683
_cod_database_code               1510713
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Hf3 Hf 0.205 0.41 0.05 1 0.0
Mo1 Mo 0.905 0.81 0.25 0.5 0.0
Hf2 Hf 0.546 0.092 0.25 0.5 0.0
Hf1 Hf 0.905 0.81 0.25 0.5 0.0
Mo2 Mo 0.546 0.092 0.25 0.5 0.0
B1 B 0.3333 0.6667 0.25 1 0.0
B2 B 0 0 0 1 0.0
