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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015775.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_9015775
loop_
_publ_author_name
'Liebscher, A.'
'Dorsam, G.'
'Franz, G.'
'Wunder, B.'
'Gottschalk, M.'
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU83
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.77 H4 O10 Si2 Sr0.23'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.72
_cell_angle_gamma                90
_cell_length_a                   5.3025
_cell_length_b                   13.174
_cell_length_c                   5.8422
_cell_volume                     339.448
_database_code_amcsd             0018936
_exptl_crystal_density_diffrn    3.181
_cod_original_formula_sum        '(Ca.77 Sr.23) Al2 Si2 O10 H4'
_cod_database_code               9015775
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-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
Ca 0.34000 0.75000 0.67100 0.77000
Sr 0.34000 0.75000 0.67100 0.23000
Al1 0.50000 0.00000 0.00000 1.00000
Al2 0.50000 0.00000 0.50000 1.00000
Si 0.96600 0.13240 0.98300 1.00000
O1 0.92600 0.75000 0.95700 1.00000
O2 0.76000 0.11500 0.65300 1.00000
O3 0.76500 0.38800 0.10600 1.00000
O4 0.27800 0.06800 0.14300 1.00000
O-H5 0.27500 0.05400 0.63300 1.00000
Wat6 0.76400 0.75000 0.35800 1.00000