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kimcherry

铁虫 (小有名气)

[求助] 急求五水硫酸铜CIF文件 已有1人参与

急求五水硫酸铜CIF文件,或者麻烦告诉一下去哪查啊
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hz5852613

木虫 (著名写手)

【答案】应助回帖

data_global
_chemical_name_mineral 'Chalcanthite'
loop_
_publ_author_name
'Beevers C'
'Lipson H'
_journal_name_full 'Proceedings of the Royal Society of London'
_journal_volume A146
_journal_year 1934
_journal_page_first 570
_journal_page_last 582
_publ_section_title
;
The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5
_cod_database_code 1010527
;
_database_code_amcsd 0017438
_chemical_formula_sum 'Cu S O9'
_chemical_formula_sum ''
_cell_length_a 6.12
_cell_length_b 10.7
_cell_length_c 5.97
_cell_angle_alpha 82.27
_cell_angle_beta 107.43
_cell_angle_gamma 102.67
_cell_volume 362.911
_exptl_crystal_density_diffrn      2.193
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.00000   0.00000
Cu2   0.50000   0.50000   0.00000
S1   0.00000   0.28000   0.64000
O1   0.89000   0.15000   0.69000
O2   0.24000   0.31000   0.82000
O3   0.86000   0.38000   0.64000
O4   0.02000   0.30000   0.38000
O5   0.83000   0.08000   0.16000
O6   0.29000   0.11000   0.17000
O7   0.48000   0.41000   0.32000
O8   0.76000   0.42000   0.01000
O9   0.43000   0.12000   0.65000
2楼2018-10-31 15:17:48
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