#------------------------------------------------------------------------------
#$Date: 2021-08-31 10:53:11 +0200 (mar 31 de ago de 2021) $
#$Revision: 268324 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/44/1564482.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_1564482
loop_
_publ_author_name
'Tomioka, N.'
'Bindi, L.'
'Okuchi, T.'
'Miyahara, M.'
'Iitaka, T.'
'Li, Z.'
'Kawatsu, T.'
'Xie, X.'
'Purevjav, N.'
'Tani, R.'
'Kodama, Y.'
_publ_section_title
;
 Poirierite, a dense metastable polymorph of magnesium iron silicate in
 shocked meteorites
;
_journal_name_full               'Communications Earth and Environment'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1038/s43247-020-00090-7
_journal_volume                  2
_journal_year                    2021
_chemical_formula_sum            'Fe0.04 Mg1.96 O4 Si'
_chemical_name_common            (Mg1.96Fe0.04)SiO4
_chemical_name_mineral           poirierite
_space_group_IT_number           51
_space_group_name_Hall           '-P 2a 2a'
_space_group_name_H-M_alt        'P m m a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   5.802(11)
_cell_length_b                   2.905(9)
_cell_length_c                   8.411(16)
_cell_volume                     141.8(6)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            poirierite.cif
_cod_data_source_block           poirierite
_cod_original_formula_sum        'Mg1.96 Fe0.04 Si1.0 O4.0'
_cod_database_code               1564482
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z
4 x+1/2,y,-z
5 -x,y,-z
6 x,-y,z
7 x+1/2,-y,-z
8 -x+1/2,y,z
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_U_iso_or_equiv
_atom_site_type_symbol
Mg1 1.0 0.000000 0.500000 0.500000 Uiso 0.0087(5) Mg
Mg2 0.96 0.250000 0.000000 0.2175(2) Uiso 0.0071(5) Mg
Fe2 0.04 0.250000 0.000000 0.2175(2) Uiso 0.0071(5) Fe
Si 1.0 0.250000 0.500000 0.8642(2) Uiso 0.0051(3) Si
O1 1.0 0.250000 0.000000 0.4693(5) Uiso 0.0080(8) O
O2 1.0 0.250000 0.000000 0.9628(5) Uiso 0.0056(7) O
O3 1.0 0.0091(3) 0.500000 0.7583(3) Uiso 0.0071(6) O
