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#$Date: 2015-10-10 02:06:03 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 163988 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536320.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536320
loop_
_publ_author_name
'Kabalov, Yu.K.'
'Grigor'ev, A.P.'
'Sokolova, E.V.'
_publ_section_title
;
 Determination of crystal structure of a new mineral Na1.23 Ca0.12 Y1.28
 TR0.24 F6 using Rietveld technique
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              713
_journal_page_last               715
_journal_volume                  330
_journal_year                    1993
_chemical_formula_sum            'Ca0.12 Er0.24 F6 Na1.23 Y1.28'
_chemical_name_systematic        'Na1.23 Ca0.12 Y1.28 Er0.24 F6'
_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_formula_units_Z            1
_cell_length_a                   5.9855
_cell_length_b                   5.9855
_cell_length_c                   3.5469
_cell_volume                     110.048
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kabalov_DANKAS_1993_1349.cif
_cod_data_source_block           Ca0.12Er0.24F6Na1.23Y1.28
_cod_original_cell_volume        110.0476
_cod_database_code               1536320
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na2 Na+1 0.6667 0.3333 0.25 0.18 0.0
Y1 Y+3 0.6667 0.3333 0.25 0.64 0.0
Er1 Er+3 0.6667 0.3333 0.25 0.12 0.0
Ca1 Ca+2 0.6667 0.3333 0.25 0.06 0.0
Na1 Na+1 0 0 0.069 0.217 0.0
F1 F-1 0.3092 0.3879 0.25 1 0.0
