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#$Date: 2015-10-09 23:50:18 +0300 (Fri, 09 Oct 2015) $
#$Revision: 163234 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/57/1535771.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_1535771
loop_
_publ_author_name
'Tsytsenko, A.K.'
'Frank-Kamenetskaya, O.V.'
'Frank-Kamenetskii, V.A.'
'Fundamenskii, V.S.'
_publ_section_title
;
 Crystal structures of Ca(1-x) Nd(x) F(2+x) (x=0.1,0.2) from precisional
 x-ray diffraction data.
;
_journal_name_full               Kristallografiya
_journal_page_first              347
_journal_page_last               353
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Ca0.8 F2.2 Nd0.2'
_chemical_name_systematic        'Ca0.8 Nd0.2 F2.2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5573
_cell_length_b                   5.5573
_cell_length_c                   5.5573
_cell_volume                     171.629
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Tsytsenko_KRISAJ_1991_1123.cif
_cod_data_source_block           Ca0.8F2.2Nd0.2
_cod_original_cell_volume        171.6293
_cod_database_code               1535771
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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
F2 F-1 0.426 0.426 0.426 0.057 0.0
Ca1 Ca+2 0 0 0 0.8 0.0
F3 F-1 0.4 0 0 0.007 0.0
F4 F-1 0.5 0.4 0.4 0.007 0.0
F1 F-1 0.25 0.25 0.25 0.809 0.0
Nd1 Nd+3 0 0 0 0.2 0.0
