#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/73/9017385.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_9017385
loop_
_publ_author_name
'Kusz, J.'
'Kucharczyk, D.'
_publ_section_title
;
 The comparative study of the commensurate structure of K2ZnC14
;
_journal_name_full
'Applied Crystallography: Proceedings of the XVI Conference'
_journal_page_first              268
_journal_page_last               272
_journal_volume                  16
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl4 K2 Zn'
_chemical_name_mineral           Flinteite
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   26.751
_cell_length_b                   12.393
_cell_length_c                   7.247
_cell_formula_units_Z            12
_cell_volume                     2402.563
_database_code_amcsd             0020736
_exptl_crystal_density_diffrn    2.367
_cod_data_source_file            inputs/fixed/downloads/14/14250.cif
_cod_data_source_block           14250
_cod_original_cell_volume        2402.562
_cod_original_formula_sum        'K2 Zn Cl4'
_cod_database_code               9017385
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K11 0.04400 0.08430 0.78720 0.07000
K21 0.28050 0.08400 0.76580 0.07400
K31 0.70950 0.08210 0.72620 0.05400
K12 0.33220 0.68520 0.72190 0.04100
K22 0.66610 0.68520 0.71800 0.04800
K32 0.99840 0.68950 0.79010 0.03300
Zn1 0.07210 0.41900 0.75000 0.02900
Zn2 0.40530 0.41710 0.77820 0.02700
Zn3 0.74010 0.41900 0.73650 0.02900
Cl11 -0.00860 0.44200 0.67710 0.04300
Cl21 0.32300 0.43780 0.81160 0.06500
Cl31 0.65970 0.43610 0.80410 0.06200
Cl12 0.11710 0.57580 0.81640 0.04800
Cl22 0.44370 0.57810 0.81240 0.07600
Cl32 0.78020 0.57490 0.66680 0.04500
Cl13 0.08480 0.30410 -0.01820 0.05400
Cl23 0.43510 0.31050 0.00070 0.07000
Cl33 0.77750 0.36180 0.00430 0.05000
Cl14 0.11010 0.35560 0.49310 0.04800
Cl24 0.43050 0.34680 0.51370 0.08100
Cl34 0.75590 0.29270 0.51890 0.04500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020736
