#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106470.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106470
loop_
_publ_author_name
'le Roy, J.'
'Moreau, J.M.'
'Paccard, D.'
'Parthe, E.'
_publ_section_title
;
 Y3 Ni2: A new tetragonal phase with Ni-centred trigonal prism
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3406
_journal_page_last               3409
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Ni2 Y3'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.104
_cell_length_b                   7.104
_cell_length_c                   36.597
_cell_volume                     1846.934
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            leRoy_ACBCAR_1977_755.cif
_cod_data_source_block           Ni2Y3
_cod_database_code               2106470
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
Y5 Y 0.645 0.809 0.0747 1 0.0
Ni1 Ni 0.31 0.008 0.0484 1 0.0
Ni2 Ni 0.63 0.101 0.0257 1 0.0
Y1 Y 0.966 0.966 0 1 0.0
Y2 Y 0.317 0.317 0 1 0.0
Ni3 Ni 0.84 0.51 0.1063 1 0.0
Y3 Y 0.808 0.443 0.0156 1 0.0
Y4 Y 0.163 0.659 0.068 1 0.0
Ni4 Ni 0.322 0.943 0.1167 1 0.0
Y6 Y 0.012 0.163 0.0891 1 0.0
Y7 Y 0.514 0.293 0.0933 1 0.0
