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lijunjie84: ½ð±Ò+1, °ß°ßÐÁ¿àÁË£¡ 2012-08-02 19:35:06
data_16173-ICSD
_database_code_ICSD                16173
_audit_creation_date               1980/01/01
_audit_update_record               2009/02/01
_chemical_name_systematic          'Dizinc Germanate'
_chemical_formula_structural       'Zn2 (Ge O4)'
_chemical_formula_sum              'Ge1 O4 Zn2'
_publ_section_title
;
Crystal structures of willemite Zn2 Si O4 and its germanium analog
Zn2 Ge O4
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary Kristallografiya 1970 15 \N 457 460 KRISAJ
2 'Soviet Physics, Crystallography (= Kristallografiya)'
1970 15 \N 387 390 SPHCA6
_publ_author_name                  'Hang, C.;Simonov, M.A.;Belov, N.V.'
_cell_length_a                     8.836(1)
_cell_length_b                     8.836(1)
_cell_length_c                     8.836(1)
_cell_angle_alpha                  107.7
_cell_angle_beta                   107.7
_cell_angle_gamma                  107.7
_cell_volume                       563.2
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 R'
_symmetry_Int_Tables_number        148
_refine_ls_R_factor_all            .133
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        '-z, -x, -y'
  2        '-y, -z, -x'
  3        '-x, -y, -z'
  4        'z, x, y'
  5        'y, z, x'
  6        'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge4+        4
O2-        -2
Zn2+        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
Ge1 Ge4+ 6 f 0.465 0.229 0.056 1. 0
Zn1 Zn2+ 6 f 0.798 0.562 0.389 1. 0
Zn2 Zn2+ 6 f 0.132 0.896 0.723 1. 0
O1 O2- 6 f 0.317 0.005 -.034 1. 0
O2 O2- 6 f 0.625 0.312 0.272 1. 0
O3 O2- 6 f 0.973 0.641 0.636 1. 0
O4 O2- 6 f 0.579 0.249 -.078 1. 0

#End of data_16173-ICSD
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