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zyl2568

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[交流] zno的cif

我查zno的cif怎么没找到阿，只找到了zns的。谁有icsd能帮我找找。谢勒，传给我hnxchzyl@163.com

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1楼2009-11-03 16:26:42

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

w6y8d0

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应助: 68 (初中生)
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性别: GG
专业: 无机材料化学

★
zyl2568(金币+1,VIP+0): 11-4 08:39

data_163382-ICSD
_database_code_ICSD             163382
_audit_creation_date             2009-08-01
_chemical_name_systematic
'Zinc oxide - B2'
_chemical_formula_structural
'Zn O'
_chemical_formula_sum
'O1 Zn1'
_publ_section_title
'O1 Zn1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Alloys Compd.' 2009 476 306 310 JALCEU
loop_
_publ_author_name
Cui Shouxin;Feng Wenxia;Hu Haiquan;Feng Zhenbao;Wang Yuanxu
_cell_length_a                   2.608
_cell_length_b                   2.608
_cell_length_c                   2.608
_cell_angle_alpha                90.
_cell_angle_beta                90.
_cell_angle_gamma                90.
_cell_volume                      17.7401
_cell_formula_units_Z             1.000
_symmetry_space_group_name_H-M    'P m -3 m'
_symmetry_Int_Tables_number       221
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'z, y, -x'
2 'y, x, -z'
3 'x, z, -y'
4 'z, x, -y'
5 'y, z, -x'
6 'x, y, -z'
7 'z, -y, x'
8 'y, -x, z'
9 'x, -z, y'
  10 'z, -x, y'
  11 'y, -z, x'
  12 'x, -y, z'
  13 '-z, y, x'
  14 '-y, x, z'
  15 '-x, z, y'
  16 '-z, x, y'
  17 '-y, z, x'
  18 '-x, y, z'
  19 '-z, -y, -x'
  20 '-y, -x, -z'
  21 '-x, -z, -y'
  22 '-z, -x, -y'
  23 '-y, -z, -x'
  24 '-x, -y, -z'
  25 '-z, -y, x'
  26 '-y, -x, z'
  27 '-x, -z, y'
  28 '-z, -x, y'
  29 '-y, -z, x'
  30 '-x, -y, z'
  31 '-z, y, -x'
  32 '-y, x, -z'
  33 '-x, z, -y'
  34 '-z, x, -y'
  35 '-y, z, -x'
  36 '-x, y, -z'
  37 'z, -y, -x'
  38 'y, -x, -z'
  39 'x, -z, -y'
  40 'z, -x, -y'
  41 'y, -z, -x'
  42 'x, -y, -z'
  43 'z, y, x'
  44 'y, x, z'
  45 'x, z, y'
  46 'z, x, y'
  47 'y, z, x'
  48 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+    2.
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_B_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 1 a 0. 0. 0. 0. 1.
O1 O2- 1 b 0.5 0.5 0.5 0. 1.
#End of data_163382-ICSD

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3楼2009-11-03 16:57:21

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

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w6y8d0

至尊木虫 (著名写手)

应助: 68 (初中生)
金币: 22916.3
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沙发: 2
帖子: 2772
在线: 496.9小时
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注册: 2006-02-07
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专业: 无机材料化学

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eeqeeq0002(金币+1,VIP+0):谢谢参与 11-3 19:26

data_163380-ICSD
_database_code_ICSD             163380
_audit_creation_date             2009-08-01
_chemical_name_systematic
'Zinc oxide'
_chemical_formula_structural
'Zn O'
_chemical_formula_sum
'O1 Zn1'
_publ_section_title
'O1 Zn1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Alloys Compd.' 2009 476 306 310 JALCEU
loop_
_publ_author_name
Cui Shouxin;Feng Wenxia;Hu Haiquan;Feng Zhenbao;Wang Yuanxu
_cell_length_a                   3.1841
_cell_length_b                   3.1841
_cell_length_c                   5.1551
_cell_angle_alpha                90.
_cell_angle_beta                90.
_cell_angle_gamma                120.
_cell_volume                      45.2603
_cell_formula_units_Z             2.000
_symmetry_space_group_name_H-M    'P 63 m c'
_symmetry_Int_Tables_number       186
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, -x+y, z+1/2'
2 'x-y, -y, z+1/2'
3 'y, x, z+1/2'
4 'x-y, x, z+1/2'
5 'y, -x+y, z+1/2'
6 '-x, -y, z+1/2'
7 'x, x-y, z'
8 '-x+y, y, z'
9 '-y, -x, z'
  10 '-x+y, -x, z'
  11 '-y, x-y, z'
  12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+    2.
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_B_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 2 b 0.3333 0.6667 0. 0. 1.
O1 O2- 2 b 0.3333 0.6667 0.38031 0. 1.
#End of data_163380-ICSD

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2楼2009-11-03 16:55:50

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

w6y8d0

至尊木虫 (著名写手)

应助: 68 (初中生)
金币: 22916.3
红花: 3
沙发: 2
帖子: 2772
在线: 496.9小时
虫号: 178636
注册: 2006-02-07
性别: GG
专业: 无机材料化学

★
zyl2568(金币+1,VIP+0): 11-4 08:38

data_163383-ICSD
_database_code_ICSD             163383
_audit_creation_date             2009-08-01
_chemical_name_systematic
'Zinc oxide - B3'
_chemical_formula_structural
'Zn O'
_chemical_formula_sum
'O1 Zn1'
_publ_section_title
'O1 Zn1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Alloys Compd.' 2009 476 306 310 JALCEU
loop_
_publ_author_name
Cui Shouxin;Feng Wenxia;Hu Haiquan;Feng Zhenbao;Wang Yuanxu
_cell_length_a                   4.489
_cell_length_b                   4.489
_cell_length_c                   4.489
_cell_angle_alpha                90.
_cell_angle_beta                90.
_cell_angle_gamma                90.
_cell_volume                      90.4601
_cell_formula_units_Z             4.000
_symmetry_space_group_name_H-M    'F -4 3 m'
_symmetry_Int_Tables_number       216
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-z, -y, x'
2 '-y, -x, z'
3 '-x, -z, y'
4 '-z, -x, y'
5 '-y, -z, x'
6 '-x, -y, z'
7 '-z, y, -x'
8 '-y, x, -z'
9 '-x, z, -y'
  10 '-z, x, -y'
  11 '-y, z, -x'
  12 '-x, y, -z'
  13 'z, -y, -x'
  14 'y, -x, -z'
  15 'x, -z, -y'
  16 'z, -x, -y'
  17 'y, -z, -x'
  18 'x, -y, -z'
  19 'z, y, x'
  20 'y, x, z'
  21 'x, z, y'
  22 'z, x, y'
  23 'y, z, x'
  24 'x, y, z'
  25 '-z, -y+1/2, x+1/2'
  26 '-y, -x+1/2, z+1/2'
  27 '-x, -z+1/2, y+1/2'
  28 '-z, -x+1/2, y+1/2'
  29 '-y, -z+1/2, x+1/2'
  30 '-x, -y+1/2, z+1/2'
  31 '-z, y+1/2, -x+1/2'
  32 '-y, x+1/2, -z+1/2'
  33 '-x, z+1/2, -y+1/2'
  34 '-z, x+1/2, -y+1/2'
  35 '-y, z+1/2, -x+1/2'
  36 '-x, y+1/2, -z+1/2'
  37 'z, -y+1/2, -x+1/2'
  38 'y, -x+1/2, -z+1/2'
  39 'x, -z+1/2, -y+1/2'
  40 'z, -x+1/2, -y+1/2'
  41 'y, -z+1/2, -x+1/2'
  42 'x, -y+1/2, -z+1/2'
  43 'z, y+1/2, x+1/2'
  44 'y, x+1/2, z+1/2'
  45 'x, z+1/2, y+1/2'
  46 'z, x+1/2, y+1/2'
  47 'y, z+1/2, x+1/2'
  48 'x, y+1/2, z+1/2'
  49 '-z+1/2, -y, x+1/2'
  50 '-y+1/2, -x, z+1/2'
  51 '-x+1/2, -z, y+1/2'
  52 '-z+1/2, -x, y+1/2'
  53 '-y+1/2, -z, x+1/2'
  54 '-x+1/2, -y, z+1/2'
  55 '-z+1/2, y, -x+1/2'
  56 '-y+1/2, x, -z+1/2'
  57 '-x+1/2, z, -y+1/2'
  58 '-z+1/2, x, -y+1/2'
  59 '-y+1/2, z, -x+1/2'
  60 '-x+1/2, y, -z+1/2'
  61 'z+1/2, -y, -x+1/2'
  62 'y+1/2, -x, -z+1/2'
  63 'x+1/2, -z, -y+1/2'
  64 'z+1/2, -x, -y+1/2'
  65 'y+1/2, -z, -x+1/2'
  66 'x+1/2, -y, -z+1/2'
  67 'z+1/2, y, x+1/2'
  68 'y+1/2, x, z+1/2'
  69 'x+1/2, z, y+1/2'
  70 'z+1/2, x, y+1/2'
  71 'y+1/2, z, x+1/2'
  72 'x+1/2, y, z+1/2'
  73 '-z+1/2, -y+1/2, x'
  74 '-y+1/2, -x+1/2, z'
  75 '-x+1/2, -z+1/2, y'
  76 '-z+1/2, -x+1/2, y'
  77 '-y+1/2, -z+1/2, x'
  78 '-x+1/2, -y+1/2, z'
  79 '-z+1/2, y+1/2, -x'
  80 '-y+1/2, x+1/2, -z'
  81 '-x+1/2, z+1/2, -y'
  82 '-z+1/2, x+1/2, -y'
  83 '-y+1/2, z+1/2, -x'
  84 '-x+1/2, y+1/2, -z'
  85 'z+1/2, -y+1/2, -x'
  86 'y+1/2, -x+1/2, -z'
  87 'x+1/2, -z+1/2, -y'
  88 'z+1/2, -x+1/2, -y'
  89 'y+1/2, -z+1/2, -x'
  90 'x+1/2, -y+1/2, -z'
  91 'z+1/2, y+1/2, x'
  92 'y+1/2, x+1/2, z'
  93 'x+1/2, z+1/2, y'
  94 'z+1/2, x+1/2, y'
  95 'y+1/2, z+1/2, x'
  96 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+    2.
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_B_iso_or_equiv
_atom_site_occupancy
Zn1 Zn2+ 4 a 0. 0. 0. 0. 1.
O1 O2- 4 c 0.250 0.250 0.250 0. 1.
#End of data_163383-ICSD

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4楼2009-11-03 16:58:53

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

zyl2568

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谢谢，楼上的，这些是纤锌矿zno么？

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5楼2009-11-04 10:51:18

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

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