#------------------------------------------------------------------------------
#$Date: 2022-02-18 05:14:05 +0100 (vie 18 de feb de 2022) $
#$Revision: 273021 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/90/1549039.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1549039
loop_
_publ_author_name
'Kanzaki, M.'
_publ_section_title
;
 Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4
 modified spinel phases
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              41
_journal_page_last               46
_journal_volume                  113
_journal_year                    2018
_chemical_formula_sum            'O4 Si Zn2'
_chemical_name_common            'Zn2SiO4 modified spinel'
_chemical_name_mineral           'Zn2SiO4 wadsleyite phase'
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.73982(6)
_cell_length_b                   11.50723(13)
_cell_length_c                   8.39608(9)
_cell_volume                     554.556(10)
_cod_data_source_file            Zn2SiO4-V.cif
_cod_data_source_block           Zn2SiO4_modified_spinel
_cod_depositor_comments          'Journal title was wrong, and corrected.'
_cod_original_formula_sum        'Zn2 Si O4'
_cod_database_code               1549039
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y+1/2, z'
'x, y+1/2, -z'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x, -y, -z'
'-x, y, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Zn1 1.0 0.000000 0.000000 0.000000 Biso 0.37(2) Zn
Zn2 1.0 0.000000 0.250000 0.9681(1) Biso 0.35(2) Zn
Zn3 1.0 0.250000 0.12569(7) 0.250000 Biso 0.58(1) Zn
Si 1.0 0.000000 0.1204(2) 0.6175(2) Biso 0.27(2) Si
O1 1.0 0.000000 0.250000 0.2155(6) Biso 0.36(2) O
O2 1.0 0.000000 0.250000 0.7159(6) Biso 0.36(2) O
O3 1.0 0.000000 0.9875(2) 0.2569(5) Biso 0.36(2) O
O4 1.0 0.2635(3) 0.1229(7) 0.9927(2) Biso 0.36(2) O
