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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012893.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_9012893
loop_
_publ_author_name
'Ma, Z.'
'Shi, N.'
'Mou, G.'
'Liao, L.'
_publ_section_title
;
 Crystal structure refinement of suolunite and its significance to the cement
 techniques
;
_journal_name_full               'Chinese Science Bulletin'
_journal_page_first              2125
_journal_page_last               2130
_journal_paper_doi               10.1007/BF03182693
_journal_volume                  44
_journal_year                    1999
_chemical_compound_source        'Suolun, China'
_chemical_formula_sum            'Ca H2 O4 Si'
_chemical_name_mineral           Suolunite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F -2d -2d'
_symmetry_space_group_name_H-M   'F d 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.776
_cell_length_b                   5.9900
_cell_length_c                   11.119
_cell_formula_units_Z            16
_cell_volume                     1317.137
_database_code_amcsd             0012227
_exptl_crystal_density_diffrn    2.707
_cod_original_formula_sum        'Ca Si O4 H2'
_cod_database_code               9012893
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/4-x,1/4+y,1/4+z
3/4-x,3/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
1/4+x,1/4+y,1/4-z
3/4+x,3/4+y,1/4-z
1/4+x,3/4+y,3/4-z
3/4+x,1/4+y,3/4-z
1/2-x,1/2+y,-z
-x,+y,-z
1/2-x,+y,1/2-z
-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.07610 0.00000 0.16210 0.00080
Si 0.18400 0.50220 0.16090 0.00060
O1 0.25000 0.50330 0.25000 0.00130
O2 0.16220 0.75050 0.12850 0.00090
O3 0.12660 0.34800 0.21860 0.00090
O4 0.21420 0.38730 0.03590 0.00100
O5 0.25000 0.02830 0.25000 0.00170
H1 0.27300 -0.05740 0.29200 0.00500
H2 0.19230 0.26030 -0.00780 0.00500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012227
