#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007943.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_9007943
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd)
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i40
_journal_page_last               i42
_journal_paper_doi               10.1107/S1600536803003611
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     HgB4O7
_chemical_formula_sum            'B4 Hg O7'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3994
_cell_length_b                   8.8066
_cell_length_c                   14.1370
_cell_formula_units_Z            8
_cell_volume                     1045.716
_database_code_amcsd             0010401
_exptl_crystal_density_diffrn    4.520
_cod_original_formula_sum        'Hg B4 O7'
_cod_database_code               9007943
_amcsd_formula_title             HgB4O7
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-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
Hg 0.13938 0.11225 0.11693 0.01136
B1 0.45420 0.28100 0.06160 0.00790
B2 0.51090 0.32940 0.23480 0.00790
B3 0.51650 0.06320 0.16090 0.00760
B4 0.71760 0.14870 0.04890 0.00840
O1 0.04260 0.41730 0.18950 0.01060
O2 0.40030 0.13320 0.09330 0.00820
O3 0.36270 0.36460 -0.00640 0.01200
O4 0.46510 0.38340 0.14740 0.01040
O5 0.52880 0.17300 0.24480 0.01130
O6 0.61530 0.26500 0.02080 0.00980
O7 0.67250 0.05260 0.11800 0.01290
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010401
