#------------------------------------------------------------------------------
#$Date: 2025-10-31 17:24:25 +0100 (Fri 31 de Oct de 2025) $
#$Revision: 303120 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/43/1544331.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_1544331
loop_
_publ_author_name
'Liu, X.'
'Kanzaki, M.'
'Xue, X.'
_publ_section_title
;
 Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and
 1,273 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               478
_journal_volume                  40
_journal_year                    2013
_chemical_formula_sum            'O4 Si Zn2'
_chemical_name_common            'Zn2SiO4 III'
_chemical_name_mineral           'Zn2SiO4 III'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2897(5)
_cell_length_b                   6.6711(3)
_cell_length_c                   5.0691(2)
_cell_volume                     347.96(3)
_cod_data_source_file            Zn2SiO4-III.cif
_cod_data_source_block           Zn2SiO4_III
_cod_original_formula_sum        'Zn2 O4 Si'
_cod_database_code               1544331
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'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
Zn 1.0 0.15637(6) -0.0007(2) 0.82450(10) Biso 0.580000 Zn
Si 1.0 0.0935(2) 0.250000 0.3215(8) Biso 0.540000 Si
O1 1.0 0.1078(5) 0.250000 0.6500(10) Biso 0.590000 O
O2 1.0 0.4457(5) 0.250000 0.2620(10) Biso 0.590000 O
O3 1.0 0.1605(4) 0.0456(4) 0.2070(7) Biso 0.590000 O
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 1000676
