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[求助] 求cif文件已有2人參與

求CoSn (OH)6的cif文件

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1樓 2022-05-14 19:45:54

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漫天飄雪

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感謝參與，應(yīng)助指數(shù) +1

https://materials.springer.com/i ... hic/docs/sd_0556796

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http://blog.sciencenet.cn/u/pfliu89

2樓2022-05-14 21:40:38

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感謝參與，應(yīng)助指數(shù) +1

##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.
https://www.paulingfile.com
Unique LPF ID Number SD0556796
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
"CoSn(OH)6 (CoSn[OH]6) Crystal Structure"
taken from SpringerMaterials (sm_isp_sd_0556796).
;

_publ_section_references
;Morgenstern Badarau I., Billiet Y., Poix P., Michel A.: Sur de nouveaux hydroxydes mixtes Mn2+Sn4+(OH)6 et les composés isotypes AB(OH)6. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 260 (1965) 3668-3669 (in French).
;

#Phase classification
_sm_phase_labels 'CoSn[OH]6'
_chemical_name_mineral ''
_sm_chemical_compound_class 'hydroxide'
_sm_phase_prototype 'CaSn[OH]6 '
_sm_pearson_symbol 'cP32'
_symmetry_Int_Tables_number 201
_sm_sample_details
;powder (determination of cell parameters)
;
_sm_measurement_details
;film (determination of cell parameters),
X-rays (determination of cell parameters)
;
_sm_interpretation_details
;cell parameters determined and structure type assigned
;

data_sm_isp_SD0556796-standardized_unitcell
#Cell Parameters
_cell_length_a 7.749
_cell_length_b 7.749
_cell_length_c 7.749
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 465.3
_symmetry_space_group_name_H-M 'Pn-3m'
_symmetry_Int_Tables_number 224
_cell_formula_units_Z 4
_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
O1 'O' .24k ...m 0.0562 0.0562 0.248 1 ? '?'
Co1 'Co' .4c ..-3m 0.5 0.5 0.5 1 ? '?'
Sn1 'Sn' .4b ..-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_SD0556796-published_cell
#Cell Parameters
_cell_length_a 7.749(2)
_cell_length_b 7.749(2)
_cell_length_c 7.749(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 465.3
_symmetry_space_group_name_H-M 'Pn-3m'
_symmetry_Int_Tables_number 224
_cell_formula_units_Z 4

#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_SD0556796-niggli_reduced_cell
#Cell Parameters
_cell_length_a 7.749
_cell_length_b 7.749
_cell_length_c 7.749
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 465.3
_symmetry_space_group_name_H-M ''
_symmetry_Int_Tables_number ?
_cell_formula_units_Z 4

#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

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3樓2022-05-15 00:45:32

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引用回帖:

2脗樓: Originally posted by 脗鎂脤矛脝廬脩漏 at 2022-05-14 21:40:38
https://materials.springer.com/isp/crystallographic/docs/sd_0556796

路脟魯攏賂脨脨祿脛煤攏盧脮脪碌陸脕脣碌蘆脢脟陸謾鹿鹿脰脨脰祿脫脨Co隆壟Sn隆壟O脠媒賂枚脭陋脣脴攏盧祿爐脩摟脢陸脨麓碌脛脠麓脢脟CoSn(OH)6

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4樓2022-05-15 10:10:49

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