#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/83/9008374.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_9008374
loop_
_publ_author_name
'Kudoh, Y.'
'Takeuchi, Y.'
_publ_section_title
;
 The effect of pressure on helvite Mn8S2[Be6Si6O24]
 Sample: P = 27 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              305
_journal_page_last               312
_journal_paper_doi               10.1524/zkri.1985.173.3-4.305
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Schwarzenberg, Saxony'
_chemical_formula_sum            'Be3 Mn4 O12 S Si3'
_chemical_name_mineral           Helvine
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.223
_cell_length_b                   8.223
_cell_length_c                   8.223
_cell_formula_units_Z            2
_cell_volume                     556.021
_database_code_amcsd             0010953
_diffrn_ambient_pressure         2.7e+06
_exptl_crystal_density_diffrn    3.316
_cod_original_formula_sum        'Mn4 Be3 Si3 O12 S'
_cod_database_code               9008374
loop_
_space_group_symop_operation_xyz
x,y,z
-z,x,-y
-y,z,-x
-x,y,-z
1/2+x,1/2-z,1/2-y
1/2+z,1/2-y,1/2-x
1/2+y,1/2-x,1/2-z
1/2+x,1/2+z,1/2+y
1/2+z,1/2+y,1/2+x
1/2+y,1/2+x,1/2+z
-z,-x,y
-y,-z,x
-x,-y,z
z,-x,-y
y,-z,-x
x,-y,-z
1/2-x,1/2+z,1/2-y
1/2-z,1/2+y,1/2-x
1/2-y,1/2+x,1/2-z
1/2-x,1/2-z,1/2+y
1/2-z,1/2-y,1/2+x
1/2-y,1/2-x,1/2+z
z,x,y
y,z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.17030 0.17030 0.17030 0.00836
Be 0.50000 0.00000 0.25000 0.09752
Si 0.00000 0.50000 0.25000 0.00608
O 0.13990 0.14050 0.41340 0.00861
S 0.50000 0.50000 0.50000 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010953
