#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/44/9004490.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_9004490
loop_
_publ_author_name
'Basciano, L. C.'
'Peterson, R. C.'
'Roeder, P. L.'
_publ_section_title
;Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375
 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic
 schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a
 1375 BC shipwreck
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1203
_journal_page_last               1210
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'a 1375 BC shipwreck'
_chemical_formula_sum            'H6 Mg O6 Sn'
_chemical_name_mineral           Schoenfliesite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7449
_cell_length_b                   7.7449
_cell_length_c                   7.7449
_cell_formula_units_Z            4
_cell_volume                     464.566
_database_code_amcsd             0005565
_exptl_crystal_density_diffrn    3.504
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Mg Sn H6 O6'
_cod_database_code               9004490
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,1/2+x,-y
1/2+z,-x,1/2+y
-z,1/2+x,1/2+y
-z,-x,-y
y,1/2-z,1/2-x
1/2-y,1/2-z,x
1/2-y,z,1/2-x
y,z,x
1/2+x,-y,1/2+z
-x,1/2+y,1/2+z
1/2+x,1/2+y,-z
-x,-y,-z
1/2-z,1/2-x,y
1/2-z,x,1/2-y
z,1/2-x,1/2-y
z,x,y
-y,1/2+z,1/2+x
1/2+y,1/2+z,-x
1/2+y,-z,1/2+x
-y,-z,-x
1/2-x,y,1/2-z
x,1/2-y,1/2-z
1/2-x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg 0.00000 0.00000 0.00000 1.00000
Sn 0.50000 0.50000 0.50000 1.00000
H1 -0.04400 0.19940 0.24480 0.50000
H2 -0.22200 0.07400 0.21900 0.50000
O -0.06190 0.07510 0.25400 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005565
