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linhua0402313: ½ð±Ò+1, ¸Ðл²ÎÓë½»Á÷£¬»¶Ó­³£À´¾§Ìå°å¿é 2012-08-23 07:30:34
¾§Ìå½á¹¹Êý¾Ý¿â  crystal structure database
ÎÞ»ú¾§Ìå½á¹¹Êý¾Ý¿â£¨The Inorganic Crystal Structure Database£¬ICSD£©
2Â¥2012-08-23 00:04:03
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linhua0402313

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gubinpy: ½ð±Ò+3, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2012-08-23 16:21:36
huangjr: ½ð±Ò+1, ¸ÐлÈÈÐİïÖú~ 2012-08-31 08:20:55
gubinpy: ½ð±Ò+7, ¡ïÓаïÖú 2012-10-03 17:08:39
data_43365-ICSD
_database_code_ICSD                43365
_audit_creation_date               2000/07/15
_audit_update_record               2010/02/01
_chemical_name_systematic          'Iron Phosphide (3/1) - Epsilon'
_chemical_formula_structural       'Fe3 P'
_chemical_formula_sum              'Fe3 P1'
_publ_section_title
;
X-ray investigations of the ternary system Fe-B-P.
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Chemica Scandinavica (1-27,1973-42,1988)' 1962 16 1 19 ACSAA4
_publ_author_name                  'Rundqvist, S.'
_cell_length_a                     9.107(2)
_cell_length_b                     9.107
_cell_length_c                     4.460(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       369.9
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I -4'
_symmetry_Int_Tables_number        82
_refine_ls_R_factor_all            .058
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        '-y, x, -z'
  2        'y, -x, -z'
  3        '-x, -y, z'
  4        'x, y, z'
  5        '-y+.5, x+.5, -z+.5'
  6        'y+.5, -x+.5, -z+.5'
  7        '-x+.5, -y+.5, z+.5'
  8        'x+.5, y+.5, z+.5'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0+        0
P0+        0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Fe1 Fe0+ 8 g 0.0793(2) 0.1059(2) 0.2338(8) 1. 0 0.39
Fe2 Fe0+ 8 g 0.3605(2) 0.0310(2) 0.9860(8) 1. 0 0.39
Fe3 Fe0+ 8 g 0.1717(2) 0.2195(2) 0.7548(8) 1. 0 0.39
P1 P0+ 8 g 0.2921(4) 0.0454(4) 0.4903(14) 1. 0 0.39

#End of data_43365-ICSD
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3Â¥2012-08-23 08:31:11
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gubinpy

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
3Â¥: Originally posted by linhua0402313 at 2012-08-23 08:31:11
data_43365-ICSD
_database_code_ICSD                43365
_audit_creation_date               2000/07/15
_audit_update_record               2010/02/01
_chemical_name_systematic          'Iron Phosp ...

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gubinpy

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
3Â¥: Originally posted by linhua0402313 at 2012-08-23 08:31:11
data_43365-ICSD
_database_code_ICSD                43365
_audit_creation_date               2000/07/15
_audit_update_record               2010/02/01
_chemical_name_systematic          'Iron Phosp ...

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5Â¥2012-08-23 16:23:30
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branket

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_cell_length_a                     9.107(2)
_cell_length_b                     9.107
_cell_length_c                     4.460(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
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