##CIF_1.1

data_sm_global
#Used dictionaries
loop_
_audit_conform_dict_name
_audit_conform_dict_version
_audit_conform_dict_location
cif_core.dic 	2.4.2 	.
cif_pd.dic 		1.0.1 	.
cif_sm.dic 		0.1 	'redaktion.landolt-boernstein(at)springer.com'

#About this content and reference
_sm_credits_copyright
;PAULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014.
http://www.paulingfile.com
Unique LPF ID Number SD0452309
Project Coordinator: Shuichi Iwata
Section-Editors: Karin Cenzual (Crystal Structures), Hiroaki Okamoto (Phase 
Diagrams), Fritz Hulliger (Physical Properties)
(c) Springer & Material Phases Data System (MPDS), Switzerland & National 
Institute for Materials Science (NIMS), Japan 2014.
(Data generated pre-2002: (c) Springer & MPDS & NIMS; 
post-2001: (c) Springer & MPDS)
All Rights Reserved. Version 2014.06.
;

_audit_creation_method
;This data have been compiled from the crystallographic datasheet for 
"HoCo3 Crystal Structure" 
taken from SpringerMaterials (sm_isp_sd_0452309).
;

_publ_section_references
;Ostertag W.: Rare Earth Cobalt Compounds with the AB₃ Structure. Transactions of the Metallurgical Society of AIME 239 (1967) 690-694.
;

#Phase classification
_sm_phase_labels				'HoCo3'
_chemical_name_mineral			''
_sm_chemical_compound_class		'intermetallic'
_sm_phase_prototype				'PuNi3 '
_sm_pearson_symbol				'hR36'
_symmetry_Int_Tables_number		166
_sm_sample_details
;sample prepared from Co, Ho, 
powder (determination of cell parameters)
;
_sm_measurement_details
;Debye-Scherrer film (determination of cell parameters), 
X-rays, Co Kα; λ = 0.17889 nm (determination of cell parameters)
;
_sm_interpretation_details
;cell parameters determined and structure type assigned
;

data_sm_isp_SD0452309-standardized_unitcell
#Cell Parameters
_cell_length_a					4.995
_cell_length_b					4.995
_cell_length_c					24.28
_cell_angle_alpha				90
_cell_angle_beta				90
_cell_angle_gamma				120
_sm_length_ratio_ab				1.000
_sm_length_ratio_bc				0.206
_sm_length_ratio_ca				4.861
_cell_volume 					524.63
_symmetry_space_group_name_H-M	'R-3m'
_symmetry_Int_Tables_number		166
_cell_formula_units_Z			9
_sm_cell_transformation
;No transformation from published to standardized cell parameters necessary.
;

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
Co1 'Co' .18h ..m 0.5002 0.4998 0.0829 1 ? '?'
Ho1 'Ho' .6c .3m 0 0 0.1414 1 ? '?'
Co2 'Co' .6c .3m 0 0 0.3336 1 ? '?'
Co3 'Co' .3b .-3m 0 0 0.5 1 ? '?'
Ho2 'Ho' .3a .-3m 0 0 0 1 ? '?'

_sm_atom_site_transformation
;No transformation from published to standardized cell parameters necessary.
Atom coordinates assigned by editor.
;

data_sm_isp_SD0452309-published_cell
#Cell Parameters
_cell_length_a					4.995(2)
_cell_length_b					4.995(2)
_cell_length_c					24.28
_cell_angle_alpha				90
_cell_angle_beta				90
_cell_angle_gamma				120
_sm_length_ratio_ab				1.000
_sm_length_ratio_bc				0.206
_sm_length_ratio_ca				4.861
_cell_volume 					524.63
_symmetry_space_group_name_H-M	'R-3m'
_symmetry_Int_Tables_number		166
_cell_formula_units_Z			9

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
? ? ? ? ? ? ? ? ? ?

data_sm_isp_SD0452309-niggli_reduced_cell
#Cell Parameters
_cell_length_a					4.995
_cell_length_b					4.995
_cell_length_c					8.5918
_cell_angle_alpha				73.101
_cell_angle_beta				73.101
_cell_angle_gamma				60
_sm_length_ratio_ab				1.000
_sm_length_ratio_bc				0.581
_sm_length_ratio_ca				1.720
_cell_volume 					174.88
_symmetry_space_group_name_H-M	''
_symmetry_Int_Tables_number		?
_cell_formula_units_Z			9

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
? ? ? ? ? ? ? ? ? ?

data_sm_isp_SD0452309-powder_pattern
#Powder Pattern
#Note: Powder patterns are provided using custom cif-fields!
loop_
_sm_powderpattern_unit_published_line
_sm_powderpattern_value_published_line
_sm_powderpattern_unit_computed_line
_sm_powderpattern_value_computed_line
_sm_powderpattern_intensity
_sm_powderpattern_miller_indices_h
_sm_powderpattern_miller_indices_k
_sm_powderpattern_miller_indices_l
_sm_powderpattern_radiation
_sm_powderpattern_remark
'd' 4.257 'd' 0.4257 1 1 0 1 'Co K&#x03b1;' ''
'd' 2.703 'd' 0.2703 4 1 0 7 'Co K&#x03b1;' ''
'd' 2.496 'd' 0.2496 5 1 1 0 'Co K&#x03b1;' ''
'd' 2.486 'd' 0.2486 5 0 1 8 'Co K&#x03b1;' ''
'd' 2.153 'd' 0.2153 5 0 2 1 'Co K&#x03b1;' ''
'd' 2.127 'd' 0.2127 4 2 0 2 'Co K&#x03b1;' 'additional indices 1 1 6'
'd' 2.038 'd' 0.2038 3 0 2 4 'Co K&#x03b1;' ''
'd' 2.021 'd' 0.2021 4 0 0 12 'Co K&#x03b1;' ''
'd' 1.977 'd' 0.1977 5 2 0 5 'Co K&#x03b1;' ''
'd' 1.965 'd' 0.1965 4 0 1 11 'Co K&#x03b1;' ''
'd' 1.834 'd' 0.1834 3 0 2 7 'Co K&#x03b1;' 'additional indices 1 1 9'
'd' 1.619 'd' 0.1619 2 0 0 15 'Co K&#x03b1;' ''
'd' 1.614 'd' 0.1614 1 0 2 10 'Co K&#x03b1;' ''
'd' 1.608 'd' 0.1608 2 0 1 14 'Co K&#x03b1;' ''
'd' 1.479 'd' 0.1479 4 2 1 7 'Co K&#x03b1;' ''
'd' 1.441 'd' 0.1441 5 3 0 0 'Co K&#x03b1;' 'additional indices 1 2 8'
'd' 1.414 'd' 0.1414 4 0 2 13 'Co K&#x03b1;' ''
'd' 1.358 'd' 0.1358 5 1 1 15 'Co K&#x03b1;' 'additional indices 3 0 6'
'd' 1.354 'd' 0.1354 5 2 1 10 'Co K&#x03b1;' 'additional indices 2 0 14'
'd' 1.314 'd' 0.1314 4 1 2 11 'Co K&#x03b1;' ''
'd' 1.272 'd' 0.1272 1 3 0 9 'Co K&#x03b1;' ''
'd' 1.249 'd' 0.1249 7 2 2 0 'Co K&#x03b1;' ''

