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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015922.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_9015922
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 #AU76
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.982 H4 O10 Si2 Sr0.018'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8422
_cell_length_b                   8.7904
_cell_length_c                   13.1344
_cell_volume                     674.521
_database_code_amcsd             0018946
_exptl_crystal_density_diffrn    3.103
_[local]_cod_chemical_formula_sum_orig '(Ca.982 Sr.018) Al2 Si2 O10 H4'
_cod_database_code               9015922
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-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
Ca 0.00000 0.33370 0.25000 0.98200
Sr 0.00000 0.33370 0.25000 0.01800
Al 0.25000 0.25000 0.00000 1.00000
Si 0.00000 0.98100 0.13290 1.00000
O1 0.00000 0.04840 0.25000 1.00000
O2 0.27340 0.37960 0.11750 1.00000
O3 0.00000 0.13900 0.06510 1.00000
O-H4 0.00000 0.63910 0.04870 1.00000
Wat5 0.00000 0.60900 0.25000 1.00000
_journal_paper_doi 10.2138/am.2010.3220