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HAHA727

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[ÇóÖú] ÇóCSD number £º413233

CSD Number(s):  413233
Compound:       HAl3B6O12(OH)4

Title:          Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels

Journal:    Angewandte Chemie-International Edition

Year:           2003

Volume:         42

Author:         J. H. Lin

Pages:          5607-5610
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rain1shi

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

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HAHA727(½ð±Ò+1): 2011-07-11 10:03:44
data_413233-ICSD
#?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                413233
_audit_creation_date               2005/04/01
_chemical_name_systematic
;
Hydrogen Aluminium Borate Oxide Hydroxide (5/3/6/1.85/4)
;
_chemical_formula_structural       'H5 Al3 (B6 O12) O1.847 (O H)4'
_chemical_formula_sum              'H9 Al3 B6 O17.847'
_publ_section_title
;
Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Angew. Chem. Int. ed.' 2003 42 5607 5610 ACIEF5
_publ_author_name
;
Ju Jing;Lin Jian Hua;Li Guobao;Yang Tao;Li Hongmei;Liao Fuhui;Loong
Chun-K;You Liping
;
_cell_length_a                     22.03814
_cell_length_b                     22.03814
_cell_length_c                     7.02613(11)
_cell_angle_alpha                  90.0
_cell_angle_beta                   90.0
_cell_angle_gamma                  120.0
_cell_volume                       2955.24
_cell_formula_units_Z              9
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        'x-y, x, -z'
  2        'y, -x+y, -z'
  3        '-x, -y, -z'
  4        '-x+y, -x, z'
  5        '-y, x-y, z'
  6        'x, y, z'
  7        'x-y+.6666, x+.3333, -z+.3333'
  8        'x-y+.3333, x+.6666, -z+.6666'
  9        'y+.6666, -x+y+.3333, -z+.3333'
10        'y+.3333, -x+y+.6666, -z+.6666'
11        '-x+.6666, -y+.3333, -z+.3333'
12        '-x+.3333, -y+.6666, -z+.6666'
13        '-x+y+.6666, -x+.3333, z+.3333'
14        '-x+y+.3333, -x+.6666, z+.6666'
15        '-y+.6666, x-y+.3333, z+.3333'
16        '-y+.3333, x-y+.6666, z+.6666'
17        'x+.6666, y+.3333, z+.3333'
18        'x+.3333, y+.6666, z+.6666'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+        3
B3+        3
H1+        1
O2-        -2
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_U_iso_or_equiv
Al1 Al3+ 18 f 0.34996(27) 0.04835(27) 0.0782(7) 1.0 0 0.0163(11)
Al2 Al3+ 9 d 0.5 0.0 0.5 1.0 0 0.0163(11)
B1 B3+ 18 f 0.49067(21) 0.11060(24) 0.2770(6) 1.0 0 0.01
B2 B3+ 18 f 0.07867(19) 0.51747(22) 0.1581(7) 1.0 0 0.01
B3 B3+ 18 f 0.03183(20) 0.59641(19) 0.2045(7) 1.0 0 0.01
O1 O2- 18 f 0.53311(34) 0.0828(4) 0.3355(9) 1.0 0 0.01
O2 O2- 18 f 0.41739(34) 0.0666(4) 0.2639(11) 1.0 0 0.01
O3 O2- 18 f 0.52151(33) 0.1824(4) 0.2316(10) 1.0 0 0.01
O4 O2- 18 f 0.06396(20) 0.56820(21) 0.0964(7) 1.0 0 0.01
O5 O2- 18 f 0.11081(30) 0.49229(32) 0.0411(8) 1.0 0 0.01
O6 O2- 18 f 0.06206(30) 0.49167(29) 0.3326(8) 1.0 0 0.01
O7 O2- 18 f 0.01916(31) 0.64675(33) 0.1319(9) 1.0 0 0.01
O8 O2- 18 f 0.01230(31) 0.57553(29) 0.3819(8) 1.0 0 0.01
O9 O2- 3 a 0.0 0.0 0.0 1.0 0 0.415(19)
O10 O2- 18 f -0.0445(22) 0.0355(22) 0.6719(18) 0.75691 0 0.415(19)
#Position of  Element of H Is Undetermined.
#End of data_413233-ICSD

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2011-07-11 10:02:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

HAHA727

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by rain1shi at 2011-07-11 10:02:56:
data_413233-ICSD
#?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                413233 ...

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3Â¥2011-07-11 10:04:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

HAHA727

ľ³æ (СÓÐÃûÆø)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
Originally posted by rain1shi at 2011-07-11 10:02:56:
data_413233-ICSD
#?2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                413233 ...

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4Â¥2011-07-11 10:07:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

rain1shi

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

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5Â¥2011-07-11 11:12:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

HAHA727

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by rain1shi at 2011-07-11 11:12:24:
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²»ÓÃÁË¡£¸Õ²ÅÄǸö¾ÍÐС£ÄÇÄÜÔÚ°ïÎÒÕÒÕÒ

CSD Number(s):  413650

Compound:       Al4B6O19

Title:       PKU-5: An aluminoborate with novel octahedral framework topology

Journal:    Chemistry-a European Journal

Year:           2004

Volume:         10

Author:         J. H. Lin

Pages:          3901-3906
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6Â¥2011-07-11 13:41:05
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