#------------------------------------------------------------------------------
#$Date: 2017-09-12 12:55:48 +0200 (mar 12 de sep de 2017) $
#$Revision: 200783 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/07/2020753.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020753
loop_
_publ_author_name
'Massa, Werner'
'Herdtweck, Eberhardt'
_publ_section_title
;
 Erdalkakihydrogenfluoride SrF(HF₂) und BaF(HF₂)
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              509
_journal_page_last               512
_journal_paper_doi               10.1107/s0108270183005314
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'F3 H Sr'
_chemical_formula_weight         145.623
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 117.63(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.097(1)
_cell_length_b                   3.942(1)
_cell_length_c                   4.851(1)
_cell_volume                     120.24(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    21.91
_exptl_crystal_density_diffrn    4.022
_exptl_crystal_F_000             132
_refine_ls_number_reflns         621
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.029
_cod_data_source_file            Acta-Cryst-1983-C39-509-512-1.cif
_cod_data_source_block           SrHF3
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'H F3 Sr'
_cod_database_code               2020753
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2+y,-z
3 -x,-y,-z
4 x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr Sr Uiso 0.29696(8) 0.25000 0.10859(13) 1.000 0.0136 . . . .
F1 F Uiso 0.4536(5) 0.25000 0.7051(8) 1.000 0.0141 . . . .
F2 F Uiso 0.8827(5) 0.25000 0.7638(8) 1.000 0.0138 . . . .
F3 F Uiso 0.8323(6) 0.25000 0.2671(8) 1.000 0.0182 . . . .
