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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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