#------------------------------------------------------------------------------
#$Date: 2016-08-04 12:08:46 +0200 (jue 04 de ago de 2016) $
#$Revision: 184841 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/61/7226121.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_7226121
loop_
_publ_author_name
'Winiarski, M.J.'
'Wiendlocha, B.'
'Golab, S.'
'Kushwaha, S.K.'
'Wisniewski, P.'
'Kaczorowski, D.'
'Thompson, J.D.'
'Cava, R.J.'
'Klimczuk, T.'
_publ_section_title
;
 Superconductivity in CaBi2
;
_journal_coden_ASTM              PPCPFQ
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_page_first              21737
_journal_page_last               21745
_journal_paper_doi               10.1039/C6CP02856J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_structural     'Ca Bi2'
_chemical_formula_sum            'Bi2 Ca'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6970(5)
_cell_length_b                   17.069(2)
_cell_length_c                   4.6127(4)
_cell_volume                     369.81(7)
_refine_ls_R_factor_all          0.1057
_cod_data_source_file            CaBi2.cif
_cod_data_source_block           CaBi2
_cod_depositor_comments
'F_real and F_imag given instead of Calculated intensity.'
_cod_original_cell_volume        369.8
_cod_database_code               7226121
_cod_database_fobs_code          7226121
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, y, -z+1/2'
2 '-x, -y, z+1/2'
3 '-x, y, z'
4 '-x, -y, -z'
5 'x, -y, z+1/2'
6 'x, y, -z+1/2'
7 'x, -y, -z'
8 'x, y, z'
9 '-x+1/2, y+1/2, -z+1/2'
10 '-x+1/2, -y+1/2, z+1/2'
11 '-x+1/2, y+1/2, z'
12 '-x+1/2, -y+1/2, -z'
13 'x+1/2, -y+1/2, z+1/2'
14 'x+1/2, y+1/2, -z+1/2'
15 'x+1/2, -y+1/2, -z'
16 'x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_U_iso_or_equiv
Ca1 Ca0+ 4 c 0 0.0974(12) 0.25 1. 0 0
Bi1 Bi0+ 4 c 0 0.4342(2) 0.25 1. 0 0
Bi2 Bi0+ 4 c 0 0.7449(3) 0.25 1. 0 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi0+ 0
Ca0+ 0
