#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011250.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_9011250
loop_
_publ_author_name
'Marsh, R. E.'
'Herbstein, F. H.'
_publ_section_title
;
 More space-group changes
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              77
_journal_page_last               88
_journal_paper_doi               10.1107/s0108768187009492
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     KHo2F7
_chemical_formula_sum            'F7 Ho2 K'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.33
_cell_angle_gamma                90
_cell_length_a                   14.287
_cell_length_b                   8.004
_cell_length_c                   11.950
_cell_formula_units_Z            8
_cell_volume                     1114.855
_database_code_amcsd             0009817
_exptl_crystal_density_diffrn    5.981
_cod_original_formula_sum        'K Ho2 F7'
_cod_database_code               9011250
_amcsd_formula_title             KHo2F7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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_U_iso_or_equiv
K1 0.23380 0.00000 0.65260 0.02090
K2 0.26210 0.00000 0.01950 0.01360
Ho1 0.50000 0.24075 0.00000 0.07960
Ho2 0.75946 0.00000 0.67845 0.07020
Ho3 0.02370 0.76275 0.68185 0.06810
F1 0.10180 0.23480 0.91600 0.01340
F2 0.11700 0.23610 0.23690 0.01250
F3 0.39550 0.50000 0.24940 0.01360
F4 0.39540 0.00000 0.92570 0.01400
F5 0.38670 0.50000 0.61790 0.01110
F6 0.16320 0.33310 0.49990 0.01690
F7 0.17420 0.32940 0.74050 0.01430
F8 0.49560 0.00000 0.26320 0.01680
F9 0.50000 0.32130 0.50000 0.01920
F10 0.39510 0.50000 0.91280 0.01300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009817
