#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/30/1523085.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_1523085
loop_
_publ_author_name
'Willerstroem, J.O.'
'Rundqvist, S.'
'Carlsson, B.'
_publ_section_title
;
 The crystal structure of Hf3 As
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              227
_journal_page_last               232
_journal_volume                  31
_journal_year                    1980
_chemical_formula_sum            'As Hf3'
_chemical_name_systematic        'Hf3 As'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.291
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.3898
_cell_length_b                   5.3795
_cell_length_c                   15.333
_cell_volume                     1269.394
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Willerstroem_JSSCBI_1980_1111.cif
_cod_data_source_block           As1Hf3
_cod_original_formula_sum        'As1 Hf3'
_cod_database_code               1523085
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Hf4 Hf 0.0808 0.9664 0.6899 1 0.0
Hf5 Hf 0.7362 0.2672 0.3021 1 0.0
Hf2 Hf 0.157 0.7231 0.51 1 0.0
Hf1 Hf 0.7367 0.7895 0.4026 1 0.0
Hf6 Hf 0.9487 0.7556 0.4835 1 0.0
Hf3 Hf 0.9415 0.4802 0.1669 1 0.0
As1 As 0.9161 0.9916 0.1317 1 0.0
As2 As 0.1214 0.4602 0.6627 1 0.0
