#------------------------------------------------------------------------------
#$Date: 2016-10-27 11:14:31 +0200 (jue 27 de oct de 2016) $
#$Revision: 187619 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/43/1544371.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_1544371
loop_
_publ_author_name
'Kudoh, Y.'
'Nagase, T.'
'Mizohata, H.'
'Ohtani, E.'
'Sasaki, S.'
'Tanaka, M.'
_publ_section_title
;
 Structure and crystal chemistry of phase G, a new hydrous magnesium
 silicate synthesized at 22 GPa and 1050 C
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              1051
_journal_page_last               1054
_journal_volume                  24
_journal_year                    1997
_chemical_formula_sum            'H2.48 Mg1.24 O6 Si1.76'
_chemical_name_common            'Mg1.24Si1.76H2.48O6 phase G (D)'
_chemical_name_mineral           'phase D'
_space_group_IT_number           162
_space_group_name_H-M_alt        'P -3 1 m'
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.790(3)
_cell_length_b                   4.790(3)
_cell_length_c                   4.344(3)
_cell_volume                     86.32(10)
_cod_data_source_file            Mg7Si2O8OH6-phaseD.cif
_cod_data_source_block           phaseD
_cod_original_formula_sum        'Mg1.24 Si1.76 H2.48 O6'
_cod_database_code               1544371
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-y, -x, -z'
'y, x, z'
'-x+y, y, -z'
'x-y, -y, z'
'x, x-y, -z'
'-x, -x+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_B_iso_or_equiv
_atom_site_type_symbol
S 0.1200 0.333333 0.666667 0.500000 Biso 0.450000 Mg
S 0.8800 0.333333 0.666667 0.500000 Biso 0.450000 Si
M 1.0 0.000000 0.000000 0.000000 Biso 1.100000 Mg
O 1.0 0.6319(5) 0.000000 0.2686(7) Biso 0.620000 O
