Ce2O(NO3)6·3H2O (Ce2[NO3]6O[H2O]3) Crystal Structure

eli.123

题名	Ce2O(NO3)6·3H2O (Ce2[NO3]6O[H2O]3) Crystal Structure
链接	http://materials.springer.com/isp/crystallographic/docs/sd_1403863

vip

eli.123 发表于 2015-5-28 14:25
What is the format of the file? it is only 5 KB, and
I can not open it.

##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
AULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014.
http://www.paulingfile.com
Unique LPF ID Number SD1403863
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
"Ce2O(NO3)6·3H2O (Ce2[NO3]6O[H2O]3) Crystal Structure"
taken from SpringerMaterials (sm_isp_sd_1403863).
;

_publ_section_references
;Guillou N., Auffrédic J.P., Louer D.: <i>Synthesis, crystal structure, and thermal behavior of cerium(IV) oxide nitrate Ce₂O(NO₃)₆(H₂O)₆·2H₂O</i>. Journal of Solid State Chemistry <b>112</b> (1994) 45-52.
;

#Phase classification
_sm_phase_labels                                'Ce2[NO3]6O[H2O]3'
_chemical_name_mineral                        ''
_sm_chemical_compound_class                'nitrate, oxide, hydrate'
_sm_phase_prototype                                '*'
_sm_pearson_symbol                                'aP*'
_symmetry_Int_Tables_number                *
_sm_sample_details
;electron microprobe analysis Ag_0.04(0)b_2.91(2)Bi_2.07(1)S_5.98(2),
prismatic crystals
;
_sm_measurement_details
;X-rays, Mo Kα λ = 0.071073 nm (determination of cell parameters),
X-rays, Mo Kα λ = 0.071073 nm (determination of structural parameters)
;
_sm_interpretation_details
;complete structure determined
;

data_sm_isp_SD1403863-standardized_unitcell
#Cell Parameters
_cell_length_a                                        7.083
_cell_length_b                                        7.937
_cell_length_c                                        8.452
_cell_angle_alpha                                83.01
_cell_angle_beta                                76.39
_cell_angle_gamma                                75.84
_sm_length_ratio_ab                                0.892
_sm_length_ratio_bc                                0.939
_sm_length_ratio_ca                                1.193
_cell_volume                                         446.7
_symmetry_space_group_name_H-M        '?'
_symmetry_Int_Tables_number                ?
_cell_formula_units_Z                       
_sm_cell_transformation
;new axes c,-a,-b
;

#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_SD1403863-published_cell
#Cell Parameters
_cell_length_a                                        7.937(5)
_cell_length_b                                        8.452(4)
_cell_length_c                                        7.083(4)
_cell_angle_alpha                                103.61(4)
_cell_angle_beta                                104.16(5)
_cell_angle_gamma                                83.01(5)
_sm_length_ratio_ab                                0.939
_sm_length_ratio_bc                                1.193
_sm_length_ratio_ca                                0.892
_cell_volume                                         446.74
_symmetry_space_group_name_H-M        '?'
_symmetry_Int_Tables_number                ?
_cell_formula_units_Z                       

#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_SD1403863-niggli_reduced_cell
#Cell Parameters
_cell_length_a                                        7.083
_cell_length_b                                        7.937
_cell_length_c                                        8.452
_cell_angle_alpha                                83.01
_cell_angle_beta                                76.39
_cell_angle_gamma                                75.84
_sm_length_ratio_ab                                0.892
_sm_length_ratio_bc                                0.939
_sm_length_ratio_ca                                1.193
_cell_volume                                         446.74
_symmetry_space_group_name_H-M        '?'
_symmetry_Int_Tables_number                ?
_cell_formula_units_Z                       

#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
? ? ? ? ? ? ? ? ? ?

vip

先用MERCURY打开，若要在DIAMOND中打开，可将其另存为改名的CIF即可

vip

eli.123 发表于 2015-5-28 14:25
What is the format of the file? it is only 5 KB, and
I can not open it.

你需要用晶体软件打开cif文件

eli.123

sogar 发表于 2015-5-28 14:06
http://1000eb.com/14r2k

What is the format of the file? it is only 5 KB, and
I can not open it.

ganwei

我来看看哈

sogar

再来
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sogar

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sogar

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sogar

http://1000eb.com/14r2k