H:
K:
L:
Thickness of slab parallel to HKL plane:
0 Å
10 Å
CIF file
#(C) 2022 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved. data_96700-ICSD _database_code_ICSD 96700 _audit_creation_date 2004-10-01 _chemical_name_common Calcium _chemical_formula_structural Ca _chemical_formula_sum Ca1 _exptl_crystal_density_diffrn 1.18 _citation_title 'Modulated structure of the composite crystal Ca0.83 Cu O2' loop_ _citation_id _citation_journal_full _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Journal of Solid State Chemistry' 2002 163 540 545 JSSCBI loop_ _citation_author_citation_id _citation_author_name primary 'Miyazaki, Y.' primary 'Onoda, M.' primary 'Edwards, P.P.' primary 'Shamoto, S.' primary 'Kajitani, T.' _cell_length_a 3.3652(2) _cell_length_b 6.3179(2) _cell_length_c 10.5893(5) _cell_angle_alpha 90 _cell_angle_beta 93.04(1) _cell_angle_gamma 90 _cell_volume 224.82 _cell_formula_units_Z 4 _space_group_name_H-M_alt 'F 1 2/m 1' _space_group_IT_number 12 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 '-x, -y, -z' 2 'x, -y, z' 3 '-x, y, -z' 4 'x, y, z' 5 '-x, -y+1/2, -z+1/2' 6 'x, -y+1/2, z+1/2' 7 '-x, y+1/2, -z+1/2' 8 'x, y+1/2, z+1/2' 9 '-x+1/2, -y, -z+1/2' 10 'x+1/2, -y, z+1/2' 11 '-x+1/2, y, -z+1/2' 12 'x+1/2, y, z+1/2' 13 '-x+1/2, -y+1/2, -z' 14 'x+1/2, -y+1/2, z' 15 '-x+1/2, y+1/2, -z' 16 'x+1/2, y+1/2, z' loop_ _atom_type_symbol _atom_type_oxidation_number Ca0+ 0 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 Ca1 Ca0+ 8 f 0 0.25 0.25 0.64(18) 0.5 #End of TTdata_96700-ICSD