# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Sr Cu O2'

loop_
_publ_author_name
 'Yoshitaka Matsushita'
 'Yasunao Oyama'
 'Masashi Hasegawa'
 'Humihiko Takei'
_journal_name_full
;
Journal of Solid State Chemistry
;
_journal_volume 114
_journal_year 1994
_journal_page_first 289
_journal_page_last 293
_publ_Section_title
;
 Growth and Structural Refinement of Orthorhombic SrCuO$_2$ Crystals
;

_aflow_proto 'AB2C_oC16_63_c_2c_c'
_aflow_params 'a,b/a,c/a,y1,y2,y3,y4'
_aflow_params_values '3.577,4.56863293263,1.09538719597,0.06109,-0.0558,0.1792,0.33096'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC16'

_symmetry_space_group_name_Hall "-C 2c 2"
_symmetry_space_group_name_H-M "C m c m"
_symmetry_Int_Tables_number 63

_cell_length_a    3.57700
_cell_length_b    16.34200
_cell_length_c    3.91820
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z+1/2
4 -x,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x,-y,z+1/2
8 x,y,-z+1/2
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+1/2,-z+1/2

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 Cu   4 c 0.00000 0.06109  0.25000 1.00000
O1  O    4 c 0.00000 -0.05580 0.25000 1.00000
O2  O    4 c 0.00000 0.17920  0.25000 1.00000
Sr1 Sr   4 c 0.00000 0.33096  0.25000 1.00000
