#------------------------------------------------------------------------------ #$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120115 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007526.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9007526 loop_ _publ_author_name 'Marumo, F.' 'Syono, Y.' _publ_section_title ; The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 1868 _journal_page_last 1870 _journal_volume 27 _journal_year 1971 _chemical_formula_structural Zn2SiO4 _chemical_formula_sum 'O4 Si Zn2' _space_group_IT_number 122 _symmetry_space_group_name_Hall 'I -4 2bw' _symmetry_space_group_name_H-M 'I -4 2 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.0069 _cell_length_b 7.0069 _cell_length_c 6.4637 _cell_volume 317.346 _exptl_crystal_density_diffrn 4.665 _[local]_cod_chemical_formula_sum_orig 'Zn2 Si O4' _cod_database_code 9007526 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,1/2+z 1/2-y,-x,3/4+z -y,1/2-x,1/4+z y,-x,-z 1/2+y,1/2-x,1/2-z -x,1/2+y,1/4-z 1/2-x,+y,3/4-z -x,-y,z 1/2-x,1/2-y,1/2+z 1/2+y,x,3/4+z +y,1/2+x,1/4+z -y,x,-z 1/2-y,1/2+x,1/2-z x,1/2-y,1/4-z 1/2+x,-y,3/4-z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zn 0.00075 0.00199 0.00381 0.00000 0.00000 0.00046 Si 0.00199 0.00199 0.00381 0.00000 0.00000 0.00000 O 0.00846 0.01219 0.01439 -0.00025 -0.00023 -0.00092 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn 0.15700 0.25000 0.12500 Si 0.00000 0.00000 0.50000 O 0.30790 0.48900 0.13760 _journal_paper_doi 10.1107/S0567740871005004