#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017736.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_9017736
loop_
_publ_author_name
'Parafiniuk, J.'
'Stachowicz, M.'
'Wozniak, K.'
_publ_section_title
;
 Novograblenovite from Radlin, Upper Silesia, Poland and its relation to ‘redikortsevite’
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              132
_journal_page_last               141
_journal_volume                  85
_journal_year                    2021
_chemical_compound_source        'Radlin, Upper Silesia, Poland'
_chemical_formula_sum            'Cl3 H16 Mg N O6'
_chemical_name_mineral           Novograblenovite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.054
_cell_angle_gamma                90
_cell_length_a                   9.2709
_cell_length_b                   9.5361
_cell_length_c                   13.2741
_cell_formula_units_Z            4
_cell_volume                     1173.539
_database_code_amcsd             0020980
_exptl_crystal_density_diffrn    1.453
_cod_data_source_file            inputs/fixed/downloads/18/18643.cif
_cod_data_source_block           18643
_cod_original_formula_sum        'Mg Cl3 O6 H16 N'
_cod_database_code               9017736
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
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-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
Mg1 0.00000 0.50000 0.50000 1.00000 0.00903
Cl1 0.50000 0.50000 0.50000 1.00000 0.02216
Cl2 0.74000 0.75707 0.25423 1.00000 0.01566
O1 0.18123 0.60054 0.44825 1.00000 0.01802
H1A 0.25750 0.58010 0.46940 1.00000 0.03800
H1B 0.19110 0.63970 0.39650 1.00000 0.03500
O2 0.09185 0.31191 0.46467 1.00000 0.01722
H2A 0.14120 0.30320 0.41360 1.00000 0.04000
H2B 0.06370 0.23570 0.47870 1.00000 0.04300
O3 -0.08974 0.51120 0.35938 1.00000 0.01769
H3A -0.12950 0.57870 0.33680 1.00000 0.03700
H3B -0.11470 0.44390 0.33040 1.00000 0.03900
N1 0.50120 0.48403 0.23430 0.50000 0.01330
H1C 0.49600 0.49700 0.17570 0.50000 0.02000
H1D 0.56300 0.42700 0.24500 0.50000 0.02000
H1E 0.42900 0.45400 0.25400 0.50000 0.02000
H1F 0.52700 0.55450 0.25800 0.50000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020980
