#------------------------------------------------------------------------------
#$Date: 2015-09-28 11:37:45 +0200 (lun 28 de sep de 2015) $
#$Revision: 158449 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532521.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_1532521
loop_
_publ_author_name
'Kudoh, Y.'
'Kuribayashi, T.'
'Kagi, H.'
'Sasaki, S.'
'Tanaka, M.'
_publ_section_title
;
 High-pressure structural study of phase-A, Mg7 Si2 H6 O14 using
 synchrotron radiation
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              10491
_journal_page_last               10495
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'H6 Mg7 O14 Si2'
_chemical_name_systematic        '(Mg2 (Si O4))2 (Mg (O H)2)3'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.756
_cell_length_b                   7.756
_cell_length_c                   9.469
_cell_volume                     493.299
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Kudoh_JCOMEL_2002_359.cif
_cod_data_source_block           H6Mg7O14Si2
_cod_original_cell_volume        493.2991
_cod_database_code               1532521
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.2077 0.0317 -0.023 1 0.0
Si2 Si+4 0 0 0.4079 1 0.0
O2 O-2 0.4728 0.0985 0.4848 1 0.0
Si1 Si+4 0.6667 0.3333 0.1785 1 0.0
O3 O-2 0.45 0.2891 0.2421 1 0.0
O5 O-2 0.6667 0.3333 0 1 0.0
Mg1 Mg+2 0.3734 0.4584 0.3878 1 0.0
Mg3 Mg+2 0.3333 0.6667 0.1101 1 0.0
O4 O-2 0.1634 0.4344 0.2443 1 0.0
Mg2 Mg+2 0.2215 0.2434 0.1179 1 0.0
O6 O-2 0 0 0.2341 1 0.0
