#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/44/9014438.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_9014438
loop_
_publ_author_name
'Rudnev, V. V.'
'Chukanov, N. V.'
'Nechelyustov, G. N.'
'Yamnova, N. A.'
_publ_section_title
;
 Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and
 isomorphous series fluoborite-hydroxylborite series
;
_journal_name_full               'Geology of Ore Deposits'
_journal_page_first              710
_journal_page_last               719
_journal_paper_doi               10.1134/S1075701507080053
_journal_volume                  49
_journal_year                    2007
_chemical_compound_source
'the Titovsky deposit, Sakha-Yakutia Republic, Russia'
_chemical_formula_sum            'B H3 Mg3 O6'
_chemical_name_mineral           Hydroxylborite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.924
_cell_length_b                   8.924
_cell_length_c                   3.116
_cell_volume                     214.905
_database_code_amcsd             0012664
_exptl_crystal_density_diffrn    2.824
_cod_original_formula_sum        'Mg3 B O6 H3'
_cod_database_code               9014438
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-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
Mg 0.37210 0.33950 0.25000 0.01000
B 0.33333 0.66667 0.25000 0.01300
O1 0.79240 0.70530 0.25000 0.01170
O2 0.44620 0.60200 0.25000 0.01050
H 0.90000 0.81000 0.25000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012664
