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#$Date: 2015-09-06 19:33:59 +0200 (dom 06 de sep de 2015) $
#$Revision: 154940 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106685.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_2106685
loop_
_publ_author_name
'Gladyshevskii, R.E.'
'Fluekiger, R.'
_publ_section_title
;
 Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with
 monoclinc symmetry
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              38
_journal_page_last               53
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Bi2.1 Ca1.12 Cu2 O8 Sr1.78'
_chemical_name_systematic        '(Bi2.1 Ca0.9) (Sr1.78 Ca0.22) Cu2 O8'
_space_group_IT_number           37
_symmetry_space_group_name_Hall  'C 2 -2c'
_symmetry_space_group_name_H-M   'C c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4112
_cell_length_b                   30.873
_cell_length_c                   5.4161
_cell_volume                     904.814
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Gladyshevskii_ASBSDK_1996_1944.cif
_cod_data_source_block           Bi2.1Ca1.12Cu2O8Sr1.78
_cod_original_cell_volume        904.8135
_cod_database_code               2106685
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z+1/2
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca2 Ca+2 0.25 0.25 0.999 0.9 0.0
O1 O-2 0.141 0.0502 0.19 1 0.0
Bi1 Bi+3 0.2264 0.0546 0.455 0.552 0.0
Bi3 Bi+3 0.25 0.25 0.999 0.1 0.0
O3 O-2 0.001 0.1972 0.246 1 0.0
O2 O-2 0.28 0.1196 0.574 1 0.0
O4 O-2 0.006 0.2938 0.249 1 0.0
Bi2 Bi+3 0.2264 0.0491 0.559 0.448 0.0
Cu1 Cu+2 0.2488 0.1968 0.5 1 0.0
Ca1 Ca+2 0.2504 0.141 0.994 0.11 0.0
Sr1 Sr+2 0.2504 0.141 0.994 0.89 0.0
