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[ÇóÖú] ÇócifÎļþÒ»¸ö

BaSi2O5(PDF#72-0171)
Sys Orthorhombic
latticerimitive
S.G. Pcmn
a = 4.63, b = 7.69, c = 13.53
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water_Ë®(½ð±Ò+20): 20 2011-07-10 22:51:38
drg1984(½ð±Ò+1): ¸ÐлӦÖú£¡ 2011-07-11 08:51:46
data_15486-ICSD
#?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                15486
_audit_creation_date               1980/01/01
_audit_update_record               2007/08/01
_chemical_name_systematic          'Barium Phyllo-disilicate'
_chemical_formula_structural       'Ba (Si2 O5)'
_chemical_formula_sum              'Ba1 O5 Si2'
_chemical_name_mineral             Sanbornite
_publ_section_title
;
The crystal structure of sanbornite, Ba Si2 O5
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 1958 43 517 536 AMMIAY
_publ_author_name                  'Douglass, R.M.'
_cell_length_a                     4.63(1)
_cell_length_b                     7.69(2)
_cell_length_c                     13.53(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       481.73
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c m n'
_symmetry_Int_Tables_number        62
_refine_ls_R_factor_all            .101
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        '-x+.5, y, z+.5'
  2        'x, -y+.5, z'
  3        'x+.5, y+.5, -z+.5'
  4        '-x, -y, -z'
  5        'x+.5, -y, -z+.5'
  6        '-x, y+.5, -z'
  7        '-x+.5, -y+.5, z+.5'
  8        'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+        2
O2-        -2
Si4+        4
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
Ba1 Ba2+ 4 c 0.287 0.25 0.045 1. 0
Si1 Si4+ 8 d 0.363 0.05 0.317 1. 0
O1 O2- 4 c 0.48 0.25 0.348 1. 0
O2 O2- 8 d 0.146 0.06 0.22 1. 0
O3 O2- 8 d 0.228 0.97 0.416 1. 0

#End of data_15486-ICSD
2Â¥2011-07-10 22:05:52
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water_Ë®

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ÒýÓûØÌû:
Originally posted by rain1shi at 2011-07-10 22:05:52:
data_15486-ICSD
#?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                15486
...

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3Â¥2011-07-10 22:52:39
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water_Ë®

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4Â¥2011-07-10 22:53:37
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rain1shi

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