simul probe
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##CIF_1.1
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data_sm_global
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#Used dictionaries
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loop_
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_audit_conform_dict_name
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_audit_conform_dict_version
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_audit_conform_dict_location
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cif_core.dic 2.4.2 .
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cif_pd.dic 1.0.1 .
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cif_sm.dic 0.1 'redaktion.landolt-boernstein(at)springer.com'
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#About this content and reference
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_sm_credits_copyright
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;PAULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014.
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http://www.paulingfile.com
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Unique LPF ID Number SD0527720
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Project Coordinator: Shuichi Iwata
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Section-Editors: Karin Cenzual (Crystal Structures), Hiroaki Okamoto (Phase
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Diagrams), Fritz Hulliger (Physical Properties)
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(c) Springer & Material Phases Data System (MPDS), Switzerland & National
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Institute for Materials Science (NIMS), Japan 2014.
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(Data generated pre-2002: (c) Springer & MPDS & NIMS;
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post-2001: (c) Springer & MPDS)
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All Rights Reserved. Version 2014.06.
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;
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_audit_creation_method
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;This data have been compiled from the crystallographic datasheet for
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"SmB6 Crystal Structure"
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taken from SpringerMaterials (sm_isp_sd_0527720).
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;
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_publ_section_references
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;Paderno Y.B., Lundstrom T.: <i>On the Homogeneity Ranges of LaB<sub>6</sub>, EuB<sub>6</sub> and SmB<sub>6</sub></i>. Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry <b>37</b> (1983) 609-612.
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;
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#Phase classification
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_sm_phase_labels 'SmB6'
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_chemical_name_mineral ''
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_sm_chemical_compound_class 'boride'
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_sm_phase_prototype 'CaB6 '
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_sm_pearson_symbol 'cP7'
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_symmetry_Int_Tables_number 221
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_sm_sample_details
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;chemical analysis; B<sub>85.76</sub>Sm<sub>14.24</sub>,
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powder (determination of cell parameters)
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;
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_sm_measurement_details
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;Guinier-Hägg film (determination of cell parameters),
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X-rays, Cu Kα<sub>1</sub>; λ = 0.1540598 nm (determination of cell parameters)
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;
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_sm_interpretation_details
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;cell parameters determined and structure type assigned; composition dependence studied
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;
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data_sm_isp_SD0527720-standardized_unitcell
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#Cell Parameters
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_cell_length_a 4.1334
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_cell_length_b 4.1334
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_cell_length_c 4.1334
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_cell_angle_alpha 90
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_cell_angle_beta 90
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_cell_angle_gamma 90
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_sm_length_ratio_ab 1.000
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_sm_length_ratio_bc 1.000
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_sm_length_ratio_ca 1.000
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_cell_volume 70.62
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_symmetry_space_group_name_H-M 'Pm-3m'
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_symmetry_Int_Tables_number 221
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_cell_formula_units_Z 1
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_sm_cell_transformation
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;No transformation from published to standardized cell parameters necessary.
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;
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#Atom Coordinates
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loop_
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_atom_site_label
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_atom_site_type_symbol
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_atom_site_Wyckoff_symbol
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_sm_site_symmetry
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_occupancy
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_sm_coordination_number
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_sm_atomic_environment_type
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B1 'B' .6f .4m.m 0.207 0.5 0.5 1 ? '?'
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Sm1 'Sm' .1a .m-3m 0 0 0 1 ? '?'
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_sm_atom_site_transformation
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;No transformation from published to standardized cell parameters necessary.
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Atom coordinates assigned by editor.
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;
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data_sm_isp_SD0527720-published_cell
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#Cell Parameters
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_cell_length_a 4.1334(2)
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_cell_length_b 4.1334(2)
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_cell_length_c 4.1334(2)
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_cell_angle_alpha 90
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_cell_angle_beta 90
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_cell_angle_gamma 90
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_sm_length_ratio_ab 1.000
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_sm_length_ratio_bc 1.000
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_sm_length_ratio_ca 1.000
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_cell_volume 70.62
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_symmetry_space_group_name_H-M 'Pm-3m'
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_symmetry_Int_Tables_number 221
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_cell_formula_units_Z 1
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#Atom Coordinates
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loop_
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_atom_site_label
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_atom_site_type_symbol
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_atom_site_Wyckoff_symbol
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_sm_site_symmetry
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_occupancy
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_sm_coordination_number
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_sm_atomic_environment_type
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? ? ? ? ? ? ? ? ? ?
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data_sm_isp_SD0527720-niggli_reduced_cell
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#Cell Parameters
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_cell_length_a 4.1334
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_cell_length_b 4.1334
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_cell_length_c 4.1334
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_cell_angle_alpha 90
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_cell_angle_beta 90
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_cell_angle_gamma 90
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_sm_length_ratio_ab 1.000
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_sm_length_ratio_bc 1.000
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_sm_length_ratio_ca 1.000
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_cell_volume 70.62
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_symmetry_space_group_name_H-M ''
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_symmetry_Int_Tables_number ?
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_cell_formula_units_Z 1
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#Atom Coordinates
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loop_
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_atom_site_label
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_atom_site_type_symbol
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_atom_site_Wyckoff_symbol
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_sm_site_symmetry
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_occupancy
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_sm_coordination_number
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_sm_atomic_environment_type
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? ? ? ? ? ? ? ? ? ?
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