data_9013892
_publ_section_title
;
 Refinement of the structures of SrFCl and BaFCl
 Locality: synthetic
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2786
_journal_page_last               2787
_journal_paper_doi               10.1107/S0567740874008132
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Sr(Cl,F)
_chemical_formula_sum            'Cl F Sr'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1259
_cell_length_b                   4.1259
_cell_length_c                   6.9579
_cell_volume                     118.445
_exptl_crystal_density_diffrn    3.984
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
_[local]_cod_chemical_formula_sum_orig 'Sr F Cl'
_cod_database_code               9013892
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,z
-y,-x,-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,z
1/2+x,-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr 0.00850 0.00850 0.00980 0.00000 0.00000 0.00000
F 0.00860 0.00860 0.01080 0.00000 0.00000 0.00000
Cl 0.01200 0.01200 0.00390 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr 0.25000 0.25000 0.20150
F 0.75000 0.25000 0.00000
Cl 0.25000 0.25000 0.64290
