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ghlong2009

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by zjh-111 at 2013-10-28 17:03:21
cifÎļþ£¬´ÓfinditÀïÃæµ¼³öÀ´µÄ



#### CIF created by Crystallographica 2 ####

data_NickelCarbide

_audit_creation_method                    'Crystallographica 2'
_cell_angle_alpha          ...

ÎÒ֮ǰҲ´ÓFinditÀïÃæÕÒµ½ÁË£¬µ«Êǵ¼³öÀ´²»·ûºÏ±ÈÀý£¬²»¹ý»¹ÊÇллÄã¡£
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zjh-111

Òø³æ (СÓÐÃûÆø)

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ghlong2009: ½ð±Ò+5, ¡ïÓаïÖú 2013-10-29 08:21:57
csgt0: ½ð±Ò+1, лл 2013-10-31 13:50:11
cifÎļþ£¬´ÓfinditÀïÃæµ¼³öÀ´µÄ



#### CIF created by Crystallographica 2 ####

data_NickelCarbide

_audit_creation_method                    'Crystallographica 2'
_cell_angle_alpha                         90
_cell_angle_beta                          90
_cell_angle_gamma                         120
_cell_formula_units_Z                     6
_cell_length_a                            4.553
_cell_length_b                            4.553
_cell_length_c                            12.92
_cell_volume                              231.947
_cgraph_comments                         'Study of metallic carbides by electron diffraction Part II.
     Crystal structure analysis of nickel carbide
'
_cgraph_title                            'Nickel Carbide (3/1)'
_chemical_formula_sum                    'Ni3 C'
_symmetry_space_group_name_H-M           'R -3 c'
_symmetry_space_group_name_Hall          '-R 3 2"c'

loop_
        _symmetry_equiv_pos_as_xyz
        'x, y, z'
        'x-1/3, y+1/3, z+1/3'
        'x+1/3, y-1/3, z-1/3'
        '-x, -y, -z'
        '-x-1/3, -y+1/3, -z+1/3'
        '-x+1/3, -y-1/3, -z-1/3'
        '-y, x-y, z'
        '-y-1/3, x-y+1/3, z+1/3'
        '-y+1/3, x-y-1/3, z-1/3'
        'y, -x+y, -z'
        'y-1/3, -x+y+1/3, -z+1/3'
        'y+1/3, -x+y-1/3, -z-1/3'
        '-x+y, -x, z'
        '-x+y-1/3, -x+1/3, z+1/3'
        '-x+y+1/3, -x-1/3, z-1/3'
        'x-y, x, -z'
        'x-y-1/3, x+1/3, -z+1/3'
        'x-y+1/3, x-1/3, -z-1/3'
        'x-y, -y, -z+1/2'
        'x-y-1/3, -y+1/3, -z-1/6'
        'x-y+1/3, -y-1/3, -z+1/6'
        '-x+y, y, z+1/2'
        '-x+y-1/3, y+1/3, z-1/6'
        '-x+y+1/3, y-1/3, z+1/6'
        '-x, -x+y, -z+1/2'
        '-x-1/3, -x+y+1/3, -z-1/6'
        '-x+1/3, -x+y-1/3, -z+1/6'
        'x, x-y, z+1/2'
        'x-1/3, x-y+1/3, z-1/6'
        'x+1/3, x-y-1/3, z+1/6'
        'y, x, -z+1/2'
        'y-1/3, x+1/3, -z-1/6'
        'y+1/3, x-1/3, -z+1/6'
        '-y, -x, z+1/2'
        '-y-1/3, -x+1/3, z-1/6'
        '-y+1/3, -x-1/3, z+1/6'

loop_
        _atom_site_label
        _atom_site_type_symbol
        _atom_site_fract_x
        _atom_site_fract_y
        _atom_site_fract_z
        _atom_site_U_iso_or_equiv
        _atom_site_thermal_displace_type
        _atom_site_occupancy
        Ni1 Ni 0.3333 0 0.25 0 Uiso 1
        C1 C 0 0 0 0 Uiso 1

_eof

#### End of Crystallographic Information File ####
2Â¥2013-10-28 17:03:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ghlong2009

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by zjh-111 at 2013-10-28 17:03:21
cifÎļþ£¬´ÓfinditÀïÃæµ¼³öÀ´µÄ



#### CIF created by Crystallographica 2 ####

data_NickelCarbide

_audit_creation_method                    'Crystallographica 2'
_cell_angle_alpha          ...

ÄúºÃ£¬ÎÒ×î½üæÆäËûµÄÊÂÁË£¬²»ºÃÒâ˼£¬ÎÒÏëÎÊÒ»ÏÂÄãÓõÄÊÇFinditÄǸö°æ±¾µÄ°¡£¬ÎÒµ¼³öÀ´µÄÄ£ÐͲ»Ì«¶Ô£¿ÊµÔÚ²»ÖªµÀ¸ÃÔõôŪÁË¡£
4Â¥2013-11-12 15:32:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zjh-111

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by ghlong2009 at 2013-11-12 15:32:56
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