#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/14/9011458.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_9011458
loop_
_publ_author_name
'Effenberger, H.'
'Zemann, J.'
_publ_section_title
;
 Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
 one more mineral with an aplanar carbonate group
 Sample: Model 1
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              275
_journal_page_last               280
_journal_paper_doi               10.1524/zkri.1985.171.3-4.275
_journal_volume                  171
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Ba Mg O6'
_chemical_name_mineral           Norsethite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.022
_cell_length_b                   5.022
_cell_length_c                   16.770
_cell_formula_units_Z            3
_cell_volume                     366.283
_database_code_amcsd             0010924
_exptl_crystal_density_diffrn    3.831
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ba Mg C2 O6'
_cod_database_code               9011458
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.01130 0.01130 0.01580 0.00565 0.00000 0.00000
Mg 0.00960 0.00960 0.01300 0.00480 0.00000 0.00000
C 0.01080 0.01080 0.01300 0.00540 0.00000 0.00000
O 0.04300 0.04300 0.02400 0.03900 0.00200 -0.00200
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba 0.00000 0.00000 0.00000
Mg 0.00000 0.00000 0.50000
C 0.00000 0.00000 0.23910
O 0.14630 -0.14630 0.24200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010924
