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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107059.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_2107059
loop_
_publ_author_name
'Albertsson, J.'
'Abrahams, S.C.'
'Kvick, A.'
_publ_section_title
;
 Atomic displacement, anharmonic thermal vibration, expansivity and
 pyroelectric coefficient thermal dependences in Zn O.
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              34
_journal_page_last               40
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'O Zn'
_chemical_name_systematic        'Zn O'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.2417
_cell_length_b                   3.2417
_cell_length_c                   5.1876
_cell_volume                     47.211
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Albertsson_ASBSDK_1989_1783.cif
_cod_data_source_block           O1Zn1
_cod_original_cell_volume        47.21095
_cod_original_formula_sum        'O1 Zn1'
_cod_database_code               2107059
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
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
Zn1 Zn+2 0.3333 0.6667 0 1 0.0
O1 O-2 0.3333 0.6667 0.3819 1 0.0
