data_2004078
_publ_section_title
;
NaMIIZr₂F₁₁ (MII = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              2207
_journal_page_last               2210
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F11 Na Ni Zr2'
_chemical_formula_weight         473.12
_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                 116.24(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.002(2)
_cell_length_b                   6.6750(10)
_cell_length_c                   7.7090(10)
_cell_measurement_temperature    293
_cell_volume                     415.5(2)
_exptl_crystal_density_diffrn    3.78
_[local]_cod_cif_authors_sg_H-M  'C 2/m'
_[local]_cod_chemical_formula_sum_orig 'Na Ni Zr2 F11'
_cod_database_code               2004078
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 3.97(8)
Ni .0 .0 .5 .632(6)
Zr .50626(3) .0 .23708(3) .543(3)
F(1) .0 .5 .5 3.98(7)
F(2) .0 .3281(3) .0 1.25(3)
F(3) .2454(2) .0 .6490(3) 1.68(4)
F(4) .2671(3) .0 .1093(4) 2.63(5)
F(5) .0168(2) .2047(2) .3154(2) 1.32(2)
