#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$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_paper_doi               10.1107/S0567740871005004
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     Zn2SiO4
_chemical_formula_sum            'O4 Si Zn2'
_chemical_name_mineral           Willemite
_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_formula_units_Z            4
_cell_volume                     317.346
_database_code_amcsd             0009399
_exptl_crystal_density_diffrn    4.665
_cod_original_formula_sum        'Zn2 Si O4'
_cod_database_code               9007526
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009399
