
#(C) 2020 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_26170-ICSD
_database_code_ICSD 26170
_audit_creation_date 1986-09-23
_audit_update_record 2002-04-01
_chemical_name_common 'Zinc oxide'
_chemical_formula_structural 'Zn O'
_chemical_formula_sum 'O1 Zn1'
_chemical_name_structure_type Wurtzite#ZnS(2H)
_chemical_name_mineral Zincite
_exptl_crystal_density_diffrn 5.67
_citation_title 'Remeasurement of the structure of hexagonal Zn O'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary

;
Acta Crystallographica, Section B: Structural Crystallography and Crystal
Chemistry
; 1969 25 1233 1236 ACBCAR
loop_
_citation_author_citation_id
_citation_author_name
primary 'Abrahams, S.C.'
primary 'Bernstein, J.L.'
_cell_length_a 3.24986(1)
_cell_length_b 3.24986(1)
_cell_length_c 5.20662(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 47.62
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 63 m c'
_space_group_IT_number 186
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -x+y, z+1/2'
2 'x-y, -y, z+1/2'
3 'y, x, z+1/2'
4 'x-y, x, z+1/2'
5 'y, -x+y, z+1/2'
6 '-x, -y, z+1/2'
7 'x, x-y, z'
8 '-x+y, y, z'
9 '-y, -x, z'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 2
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 2 b 0.3333 0.6667 0 0.63 1.
O1 O2- 2 b 0.3333 0.6667 0.3825(14) 0.68 1.
#End of TTdata_26170-ICSD