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#$Date: 2017-09-13 02:36:10 +0200 (Wed 13 de Sep de 2017) $
#$Revision: 200796 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/40/2004075.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_2004075
loop_
_publ_author_name
'Kettani, M. H.'
'Avignant, D.'
'Metin, J.'
_publ_section_title
;
 NaMIIZr₂F₁₁ (MII = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1107/s0108270195006081
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F11 Mn Na Zr2'
_chemical_formula_weight         469.35
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_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                 116.22(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.131(2)
_cell_length_b                   6.7750(10)
_cell_length_c                   7.769(2)
_cell_measurement_temperature    293
_cell_volume                     431.1(2)
_exptl_crystal_density_diffrn    3.62
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Na Mn Zr2 F11'
_cod_database_code               2004075
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-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_B_iso_or_equiv
Na .0 .0 .0 3.36(9)
Mn .0 .0 .5 .700(10)
Zr .50168(4) .0 .23286(5) .651(5)
F(1) .0 .5 .5 2.69(8)
F(2) .0 .3310(4) .0 1.48(4)
F(3) .2537(3) .0 .6489(4) 1.98(6)
F(4) .2652(3) .0 .1082(5) 2.35(7)
F(5) .0116(2) .2104(3) .3074(3) 1.57(3)
