#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/49/9014902.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_9014902
loop_
_publ_author_name
'Crichton, W. A.'
'Parise, J. B.'
'Muller, H.'
'Breger, J.'
'Marshall, W. G.'
'Welch, M. D.'
_publ_section_title
;
 Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F:
 a topological intermediate between brucite- and rutile-type structures
 Note: transformed from Serier et al (2007)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              25
_journal_page_last               36
_journal_paper_doi               10.1180/minmag.2012.076.1.25
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F H O Zn'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2280
_cell_length_b                   3.1125
_cell_length_c                   4.7165
_cell_formula_units_Z            4
_cell_volume                     150.148
_database_code_amcsd             0019003
_exptl_crystal_density_diffrn    4.485
_cod_original_formula_sum        'Zn O H F'
_cod_database_code               9014902
_amcsd_formula_title             Zn(OH)F
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-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
Zn 0.13816 0.75000 0.53130
O 0.44900 0.75000 0.78700
H 0.93940 0.75000 0.90290
F 0.20400 0.25000 0.77400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019003
