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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/68/2106869.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_2106869
loop_
_publ_author_name
'Cromer, D.T.'
'Larson, A.C.'
_publ_section_title
;
 On the structures of Y2 Zn9, Gd2 Zn9 and related compounds
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1016
_journal_page_last               1022
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Y2.103 Zn9.78'
_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            12
_cell_length_a                   14.24
_cell_length_b                   14.24
_cell_length_c                   14
_cell_volume                     2458.548
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1972_1950.cif
_cod_data_source_block           Y2.103Zn9.78
_cod_database_code               2106869
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
Zn4 Zn 0.3661 0.0341 0.1005 1 0.0
Zn13 Zn 0 0 0.0938 0.34 0.0
Y2 Y 0.2062 -0.2062 0.0517 1 0.0
Zn8 Zn 0.6009 -0.6009 0.0521 1 0.0
Zn1 Zn 0 0 0.25 1 0.0
Zn10 Zn 0.2701 -0.2701 0.25 1 0.0
Zn7 Zn 0.4371 -0.4371 0.1426 1 0.0
Zn3 Zn 0.3333 0.6667 0.0952 1 0.0
Zn2 Zn 0.3333 0.6667 0.75 1 0.0
Y3 Y 0.5425 -0.5425 0.25 1 0.0
Zn5 Zn 0.0984 -0.0984 0.1581 1 0.0
Zn9 Zn 0.7631 -0.7631 0.1585 1 0.0
Zn12 Zn 0.5 0.5 0 1 0.0
Y1 Y 0 0 0 0.62 0.0
Zn11 Zn 0.8042 0.8042 0 1 0.0
Zn6 Zn 0.086 0.3673 0.25 1 0.0
Y4 Y 0.8723 -0.8723 0.25 1 0.0
