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linhua0402313
°æÖ÷ (ÎÄ̳¾«Ó¢)
- CMEI: 1
- Ó¦Öú: 196 (¸ßÖÐÉú)
- ¹ó±ö: 3.051
- ½ð±Ò: 70735.3
- É¢½ð: 313
- ºì»¨: 55
- ɳ·¢: 2
- Ìû×Ó: 12149
- ÔÚÏß: 1242.7Сʱ
- ³æºÅ: 295002
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jiaojiaoaa: ½ð±Ò+5 2012-04-28 09:27:26
jiaojiaoaa: ½ð±Ò+5 2012-04-28 09:27:26
|
data_65687-ICSD _database_code_ICSD 65687 _audit_creation_date 1990/06/08 _chemical_name_systematic 'Cobalt Phosphate Octahydrate' _chemical_formula_structural 'Co3 (P O4)2 (H2 O)8' _chemical_formula_sum 'H16 Co3 O16 P2' _publ_section_title ; Cobalt(II) orthophosphate octahydrate ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Acta Crystallographica C (39,1983-)' 1989 45 1412 1413 ACSCEE _publ_author_name 'Riou, A.;Cudennec, Y.;Gerault, Y.' _cell_length_a 10.021(3) _cell_length_b 13.331(3) _cell_length_c 4.673(2) _cell_angle_alpha 90. _cell_angle_beta 104.90(6) _cell_angle_gamma 90. _cell_volume 603.28 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'C 1 2/m 1' _symmetry_Int_Tables_number 12 _refine_ls_R_factor_all .018 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '-x, y, -z' 2 '-x, -y, -z' 3 'x, -y, z' 4 'x, y, z' 5 '-x+.5, y+.5, -z' 6 '-x+.5, -y+.5, -z' 7 'x+.5, -y+.5, z' 8 'x+.5, y+.5, z' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2 H1+ 1 O2- -2 P5+ 5 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 Co1 Co2+ 2 a 0 0 0 1. 0 0 Co2 Co2+ 4 g 0 0.38993(2) 0 1. 0 0 P1 P5+ 4 i 0.31424(5) 0 0.3811(1) 1. 0 0 O1 O2- 4 i 0.1573(1) 0 0.3711(3) 1. 0 0 O2 O2- 4 i 0.3935(2) 0 0.7092(3) 1. 0 0 O3 O2- 8 j 0.3444(1) 0.09648(8) 0.2282(2) 1. 0 0 O4 O2- 8 j 0.4009(1) 0.38454(9) 0.1956(2) 1. 2 0 O5 O2- 8 j 0.1029(1) 0.2760(1) 0.2820(3) 1. 2 0 H1 H1+ 8 j 0.380(3) 0.411(2) 0.319(6) 1. 0 2. H2 H1+ 8 j 0.348(4) 0.372(2) 0.123(6) 1. 0 2. H3 H1+ 8 j 0.116(4) 0.299(2) 0.382(7) 1. 0 2. H4 H1+ 8 j 0.058(3) 0.221(2) 0.286(7) 1. 0 2. #End of data_65687-ICSD |

3Â¥2012-04-28 09:22:18
linhua0402313
°æÖ÷ (ÎÄ̳¾«Ó¢)
- CMEI: 1
- Ó¦Öú: 196 (¸ßÖÐÉú)
- ¹ó±ö: 3.051
- ½ð±Ò: 70735.3
- É¢½ð: 313
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jiaojiaoaa: ½ð±Ò+5 2012-04-28 09:27:21
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
jiaojiaoaa: ½ð±Ò+5 2012-04-28 09:27:21
|
data_10275-ICSD _database_code_ICSD 10275 _audit_creation_date 1980/01/01 _audit_update_record 2010/02/01 _chemical_name_systematic ; Pentamanganese Bis(hydrogenphosphate(V)) Bis(phosphate(V)) Tetrahydrate ; _chemical_formula_structural 'Mn5 (H P O4)2 (P O4)2 (H2 O)4' _chemical_formula_sum 'H10 Mn5 O20 P4' _chemical_name_mineral Hureaulite _publ_section_title ; Hureaulite, (Mn2+)5 (H2 O)4 (P O3 (O H))2 (P O4)2 : Its atomic arrangement ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'American Mineralogist' 1973 58 302 307 AMMIAY _publ_author_name 'Moore, P.B.;Araki, T.' _cell_length_a 17.594(10) _cell_length_b 9.086(5) _cell_length_c 9.404(5) _cell_angle_alpha 90. _cell_angle_beta 96.67(8) _cell_angle_gamma 90. _cell_volume 1493.14 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_Int_Tables_number 15 _refine_ls_R_factor_all .058 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, -y, z+.5' 2 '-x, -y, -z' 3 '-x, y, -z+.5' 4 'x, y, z' 5 'x+.5, -y+.5, z+.5' 6 '-x+.5, -y+.5, -z' 7 '-x+.5, y+.5, -z+.5' 8 'x+.5, y+.5, z' loop_ _atom_type_symbol _atom_type_oxidation_number H1+ 1 Mn2+ 2 O2- -2 P5+ 5 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 Mn1 Mn2+ 4 e 0 0.10238(8) 0.75 1. 0 0.69(1) Mn2 Mn2+ 8 f 0.31696(3) 0.08821(6) -.31470(6) 1. 0 0.67(1) Mn3 Mn2+ 8 f 0.17453(3) -.02833(6) -.13408(6) 1. 0 0.74(1) P1 P5+ 8 f 0.41723(5) 0.32038(9) -.09009(9) 1. 0 0.66(1) P2 P5+ 8 f 0.16098(5) 0.26066(9) -.37176(9) 1. 0 0.60(1) O1 O2- 8 f 0.3455(2) 0.2278(3) -.1338(3) 1. 0 1.13(4) O2 O2- 8 f 0.4884(2) 0.2150(3) -.0796(3) 1. 1 1.24(4) O3 O2- 8 f 0.4231(2) 0.4331(3) -.2072(3) 1. 0 1.11(4) O4 O2- 8 f 0.4156(1) 0.3915(3) 0.0558(3) 1. 0 1.05(4) O5 O2- 8 f 0.1638(1) 0.2357(3) -.5331(3) 1. 0 1.00(3) O6 O2- 8 f 0.0760(1) 0.2655(3) -.3407(3) 1. 0 0.96(3) O7 O2- 8 f 0.2019(1) 0.4040(3) -.3257(3) 1. 0 1.01(4) O8 O2- 8 f 0.2024(1) 0.1326(3) -.2885(3) 1. 0 0.93(4) O9 O2- 8 f 0.4213(2) -.0081(3) -.3463(3) 1. 2 1.70(5) O10 O2- 8 f 0.2599(1) 0.0796(3) 0.0310(3) 1. 2 1.09(4) #Position of 40 Elements of H Are Undetermined. #End of data_10275-ICSD |

2Â¥2012-04-28 09:21:36














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