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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015031.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_9015031
loop_
_publ_author_name
'Malcherek, T.'
'Mihailova, B.'
'Schluter, J.'
'Husdal, T.'
_publ_section_title
;
 Atelisite-(Y), a new rare earth defect silicate of the KDP structure type
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1053
_journal_page_last               1060
_journal_paper_doi               10.1127/0935-1221/2012/0024-2242
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Stetind quarry, Tysfjord, Norway'
_chemical_formula_sum
'Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12'
_chemical_name_mineral           Atelisite-(Y)
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.947
_cell_length_b                   6.947
_cell_length_c                   6.133
_cell_formula_units_Z            4
_cell_volume                     295.984
_database_code_amcsd             0019605
_exptl_crystal_density_diffrn    4.331
_cod_original_formula_sum        'Si.73 (Y.78 Yb.12 Er.05 Dy.03 Gd.02) O4 H2'
_cod_database_code               9015031
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-y,-x,3/4+z
-y,1/2-x,1/4+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,1/2+y,1/4-z
1/2-x,+y,3/4-z
-x,-y,z
1/2-x,1/2-y,1/2+z
1/2+y,x,3/4+z
+y,1/2+x,1/4+z
-y,x,-z
1/2-y,1/2+x,1/2-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
_atom_site_U_iso_or_equiv
Si 0.00000 0.50000 0.25000 0.73000 0.00760
Y 0.00000 0.50000 0.75000 0.78000 0.00860
Yb 0.00000 0.50000 0.75000 0.12000 0.00860
Er 0.00000 0.50000 0.75000 0.05000 0.00860
Dy 0.00000 0.50000 0.75000 0.03000 0.00860
Gd 0.00000 0.50000 0.75000 0.02000 0.00860
O 0.82090 0.54690 0.08520 1.00000 0.01370
H 0.80000 0.68000 0.15000 0.50000 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019605
