#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012764.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_9012764
loop_
_publ_author_name
'Coda, A.'
'dal Negro, A.'
'Rossi, G.'
_publ_section_title
;
 The crystal structure of krauskopfite
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              859
_journal_page_last               873
_journal_volume                  42
_journal_year                    1967
_chemical_compound_source
'Rush Creek locality, Fresno County, California'
_chemical_formula_sum            'Ba H6 O8 Si2'
_chemical_name_mineral           Krauskopfite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.53
_cell_angle_gamma                90
_cell_length_a                   7.837
_cell_length_b                   10.622
_cell_length_c                   8.460
_cell_formula_units_Z            4
_cell_volume                     702.049
_database_code_amcsd             0012050
_exptl_crystal_density_diffrn    3.099
_cod_original_formula_sum        'Ba Si2 O8 H6'
_cod_database_code               9012764
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-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
Ba 0.20617 0.14932 0.12217 ?
Si1 0.49067 0.38317 0.27346 ?
Si2 0.70113 0.24619 0.53086 ?
O1 0.53510 0.28850 0.12730 ?
O2 0.52050 0.52750 0.21820 ?
O3 0.30710 0.34940 0.31900 ?
O4 0.64070 0.36760 0.41750 ?
O5 0.76590 0.12990 0.43250 ?
O6 0.85660 0.29260 0.65940 ?
O7 0.12530 0.11830 0.45870 ?
O8 0.99300 0.43350 0.32920 ?
H1 0.11820 0.40010 0.32480 0.03166
H2 0.94420 0.35330 0.26820 0.03166
H3 0.99150 0.12200 0.44940 0.03166
H4 0.16530 0.02750 0.49840 0.03166
H5 0.81970 0.17610 0.26950 0.03166
H6 0.59010 0.06630 0.34030 0.03166
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012050
