#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010631.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_9010631
loop_
_publ_author_name
'Basciano, L. C.'
'Groat, L. A.'
_publ_section_title
;
 The crystal structure of kampfite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              935
_journal_page_last               943
_journal_paper_doi               10.2113/gscanmin.45.4.935
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source
'Esquire #1 claim, Rush Creek, Fresno County, California'
_chemical_formula_sum            'C2 Al1.3 Ba3 Cl1.24 O14 Si2.7'
_chemical_name_mineral           Kampfite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.933
_cell_angle_gamma                90
_cell_length_a                   31.2329
_cell_length_b                   5.2398
_cell_length_c                   9.0966
_cell_formula_units_Z            4
_cell_volume                     1424.155
_database_code_amcsd             0006152
_exptl_crystal_density_diffrn    3.800
_cod_original_formula_sum        'Ba3 (Si2.7 Al1.3) C2 O14 Cl1.24'
_cod_database_code               9010631
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+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_occupancy
_atom_site_U_iso_or_equiv
Ba1 0.39588 0.24980 0.05925 1.00000 0.01741
Ba2 0.61035 0.25030 0.27376 1.00000 0.01730
Ba3 0.00309 0.25030 0.33408 1.00000 0.01610
SiT1 0.19850 0.18850 0.52710 0.67500 0.01420
AlT1 0.19850 0.18850 0.52710 0.32500 0.01420
SiT2 0.19884 0.31210 0.19730 0.67500 0.01310
AlT2 0.19884 0.31210 0.19730 0.32500 0.01310
SiT3 0.30741 0.31180 0.30590 0.67500 0.01210
AlT3 0.30741 0.31180 0.30590 0.32500 0.01210
SiT4 0.30768 0.18880 0.63610 0.67500 0.01230
AlT4 0.30768 0.18880 0.63610 0.32500 0.01230
C1 0.07360 0.24830 0.06930 1.00000 0.02000
C2 0.43270 0.24610 0.42890 1.00000 0.01900
O1 0.42990 0.03300 0.35560 1.00000 0.02000
O2 0.43200 0.25500 0.57240 1.00000 0.02300
O3 0.43070 0.46400 0.35450 1.00000 0.02400
O4 0.32720 0.59880 0.27580 1.00000 0.01750
O5 0.32660 0.09820 0.20310 1.00000 0.01650
O6 0.32880 0.23200 0.49070 1.00000 0.02000
O7 0.07630 0.02800 0.00200 1.00000 0.02400
O8 0.07570 0.46100 -0.00030 1.00000 0.02000
O9 0.07410 0.25700 0.21360 1.00000 0.02300
O10 0.17970 0.09870 0.05740 1.00000 0.01770
O11 0.17930 0.59990 0.12620 1.00000 0.01840
O12 0.17760 0.23200 0.33950 1.00000 0.02200
O13 0.25320 0.19570 0.57840 1.00000 0.01780
O14 0.25320 0.31140 0.25570 1.00000 0.01670
Cl1 0.50310 0.24990 0.16750 1.00000 0.01980
Cl2 0.50300 0.25500 0.50000 0.24000 0.02400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006152
