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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001714.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_9001714
loop_
_publ_author_name
'Libowitzky, E.'
'Armbruster, T.'
_publ_section_title
;
 Lawsonite-type phase transitions in hennomartinite, SrMn2[Si2O7](OH)2.H2O
 T = 245 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               18
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'H4 Mn2 O10 Si2 Sr'
_chemical_name_mineral           Hennomartinite
_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                   6.255
_cell_length_b                   9.067
_cell_length_c                   13.431
_cell_formula_units_Z            4
_cell_volume                     761.727
_diffrn_ambient_temperature      518.15
_exptl_crystal_density_diffrn    3.642
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_formula_sum        'Sr Mn2 Si2 O10 H4'
_cod_database_code               9001714
loop_
_symmetry_equiv_pos_as_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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr Sr 0.00000 0.31258 0.25000 1.00000 ?
Mn Mn 0.25000 0.25000 0.00000 1.00000 ?
Si Si 0.00000 0.96991 0.13224 1.00000 ?
O1 O 0.00000 0.01980 0.25000 1.00000 ?
O2 O 0.28510 0.37230 0.11492 1.00000 ?
O3 O 0.00000 0.12750 0.07680 1.00000 ?
O4 O 0.00000 0.63400 0.04240 1.00000 ?
O5 O 0.02900 0.60680 0.25000 0.50000 ?
Hw H 0.00000 0.63700 0.19800 1.00000 0.06003
Hh H 0.00000 0.55200 0.04600 1.00000 0.09005
_database_code_amcsd 0001770
