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know_snow: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, ·Ç³£¸Ðл£¡ 2013-11-18 10:00:37
data_43136-ICSD
#?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                43136
_audit_creation_date               2000/07/15
_chemical_name_systematic          'Barium Zirconate - Pr-doted (2%)'
_chemical_formula_structural       'Ba (Zr O3)'
_chemical_formula_sum              'Ba1 O3 Zr1'
_publ_section_title
;
Electron paramagnetic resonance spectra of Pr4+ in Ba Ce O3, Ba Zr
O3, Ba Sn O3, and their solid solutions
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1996 122 384 389 JSSCBI
_publ_author_name                  'Hinatsu, Y.'
_cell_length_a                     4.1987
_cell_length_b                     4.1987
_cell_length_c                     4.1987
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       74.02
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        'z, y, -x'
  2        'y, x, -z'
  3        'x, z, -y'
  4        'z, x, -y'
  5        'y, z, -x'
  6        'x, y, -z'
  7        'z, -y, x'
  8        'y, -x, z'
  9        'x, -z, y'
10        'z, -x, y'
11        'y, -z, x'
12        'x, -y, z'
13        '-z, y, x'
14        '-y, x, z'
15        '-x, z, y'
16        '-z, x, y'
17        '-y, z, x'
18        '-x, y, z'
19        '-z, -y, -x'
20        '-y, -x, -z'
21        '-x, -z, -y'
22        '-z, -x, -y'
23        '-y, -z, -x'
24        '-x, -y, -z'
25        '-z, -y, x'
26        '-y, -x, z'
27        '-x, -z, y'
28        '-z, -x, y'
29        '-y, -z, x'
30        '-x, -y, z'
31        '-z, y, -x'
32        '-y, x, -z'
33        '-x, z, -y'
34        '-z, x, -y'
35        '-y, z, -x'
36        '-x, y, -z'
37        'z, -y, -x'
38        'y, -x, -z'
39        'x, -z, -y'
40        'z, -x, -y'
41        'y, -z, -x'
42        'x, -y, -z'
43        'z, y, x'
44        'y, x, z'
45        'x, z, y'
46        'z, x, y'
47        'y, z, x'
48        'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+        2
O2-        -2
Zr4+        4
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_occupancy
_atom_site_attached_hydrogens
Ba1 Ba2+ 1 b 0.5 0.5 0.5 1. 0
Zr1 Zr4+ 1 a 0 0 0 1. 0
O1 O2- 3 d 0.5 0 0 1. 0

#End of data_43136-ICSD
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