#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011838.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_9011838
loop_
_publ_author_name
'Komkov, A. I.'
_publ_section_title
;
 The structure of natural fergusonite, and a polymorphic modification
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              796
_journal_page_last               800
_journal_volume                  4
_journal_year                    1959
_chemical_compound_source        'Ural Mountains, Russia'
_chemical_formula_sum            'Nb O4 Y0.85 Yb0.15'
_chemical_name_mineral           Fergusonite-(Y)
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.16
_cell_length_b                   5.16
_cell_length_c                   10.89
_cell_formula_units_Z            4
_cell_volume                     289.953
_database_code_amcsd             0015538
_exptl_crystal_density_diffrn    5.920
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        '(Y.85 Yb.15) Nb O4'
_cod_database_code               9011838
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y 0.00000 0.00000 0.50000 0.85000
Yb 0.00000 0.00000 0.50000 0.15000
Nb 0.00000 0.00000 0.00000 1.00000
O 0.18500 0.25000 0.09200 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015538
