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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/76/9007629.cif $
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#
# 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_9007629
loop_
_publ_author_name
'Gramaccioli, C. M.'
'Pilati, T.'
'Liborio, G.'
_publ_section_title
;
 Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]:
 The presence of a new tetrapolyphosphate-like anion
 Note: Displacement parameters taken from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2287
_journal_page_last               2291
_journal_paper_doi               10.1107/S0567740879009158
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        'Molinello, near Chiavari, Liguria,'
_chemical_formula_sum            'As H Mn4 O13 Si3'
_chemical_name_mineral           Tiragalloite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.7
_cell_angle_gamma                90
_cell_length_a                   6.66
_cell_length_b                   19.92
_cell_length_c                   7.67
_cell_formula_units_Z            4
_cell_volume                     1012.526
_database_code_amcsd             0009690
_exptl_crystal_density_diffrn    3.857
_cod_original_formula_sum        'Mn4 As Si3 O13 H'
_cod_database_code               9007629
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1 0.25844 0.64836 -0.14601 ?
Mn2 -0.45780 0.58376 0.54669 ?
Mn3 0.76253 0.50915 0.24515 ?
Mn4 0.05246 0.74596 0.13942 ?
As 0.43066 0.30163 -0.21252 ?
Si1 0.23118 0.36790 0.08072 ?
Si2 0.26741 0.52059 0.16158 ?
Si3 0.04814 0.59788 0.44013 ?
O1 0.27074 0.23802 -0.18296 ?
O2 0.45977 0.31980 -0.42138 ?
O3 0.64941 0.28926 -0.09053 ?
O4 0.31652 0.36999 -0.12036 ?
O5 0.03333 0.32369 0.07199 ?
O6 0.41456 0.34321 0.21941 ?
O7 0.17699 0.44584 0.11549 ?
O8 0.30120 0.55324 -0.02563 ?
O9 0.45704 0.51577 0.30760 ?
O10 0.08685 0.55831 0.25473 ?
O11 0.04933 0.67785 0.38415 ?
O12 0.22133 0.58601 0.60057 ?
O13 -0.16437 0.56880 0.47657 ?
H 0.14000 0.71000 0.45000 0.03800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009690
