#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000488.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_9000488
loop_
_publ_author_name
'Takeuchi, Y.'
'Kudoh, Y.'
'Yamanaka, T.'
_publ_section_title
;
 Crystal chemistry of the serandite-pectolite series and related minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              229
_journal_page_last               237
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca0.18 Mn1.82 Na O9 Si3'
_chemical_name_mineral           Serandite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.53
_cell_angle_beta                 94.12
_cell_angle_gamma                102.75
_cell_length_a                   7.683
_cell_length_b                   6.889
_cell_length_c                   6.747
_cell_formula_units_Z            2
_cell_volume                     347.285
_database_code_amcsd             0000499
_exptl_crystal_density_diffrn    3.428
_cod_original_formula_sum        '(Mn1.82 Ca.18) Na Si3 O9'
_cod_database_code               9000488
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 0.85270 0.59430 0.13630 0.84000
Ca1 0.85270 0.59430 0.13630 0.16000
Mn2 0.84970 0.08400 0.13320 0.98000
Ca2 0.84970 0.08400 0.13320 0.02000
Na 0.55740 0.25480 0.35180 1.00000
Si1 0.21660 0.40250 0.34140 1.00000
Si2 0.20710 0.95270 0.35060 1.00000
Si3 0.45460 0.73890 0.14290 1.00000
O1 0.66430 0.79530 0.11460 1.00000
O2 0.32350 0.70790 -0.05680 1.00000
O3 0.18090 0.49520 0.55340 1.00000
O4 0.15990 0.84580 0.55680 1.00000
O5 0.06110 0.39080 0.16830 1.00000
O6 0.05310 0.89300 0.17270 1.00000
O7 0.40770 0.53310 0.27390 1.00000
O8 0.39740 0.90520 0.28800 1.00000
O9 0.26140 0.18990 0.39280 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000499
