#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/66/9016666.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016666
loop_
_publ_author_name
'Yamamoto, K.'
_publ_section_title
;
 The crystal structure of hydroxyl-chondrodite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1481
_journal_page_last               1485
_journal_paper_doi               10.1107/S0567740877006335
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H2.3 Mg5 O10 Si2'
_chemical_name_mineral           Hydroxylchondrodite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                108.71
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.752
_cell_length_b                   10.350
_cell_length_c                   7.914
_cell_formula_units_Z            2
_cell_volume                     368.666
_database_code_amcsd             0018884
_exptl_crystal_density_diffrn    3.063
_cod_original_formula_sum        'Mg5 Si2 O10 H2.3'
_cod_database_code               9016666
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg1 0.50000 0.00000 0.50000 1.00000 ?
Mg2 0.00730 0.17550 0.30890 1.00000 ?
Mg3 0.48750 0.88380 0.07710 1.00000 ?
Si 0.07770 0.14080 0.70200 1.00000 ?
O1 0.77610 0.00270 0.29660 1.00000 ?
O2 0.72660 0.24460 0.12920 1.00000 ?
O3 0.22490 0.16760 0.52910 1.00000 ?
O4 0.26310 0.85660 0.29730 1.00000 ?
O5 0.26500 0.06000 0.10640 1.00000 ?
H1 0.15000 0.03000 0.06000 0.59000 0.01317
H2 0.42000 0.10000 0.20000 0.56000 0.01317
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018884
