data_NIMS_MatNavi_4296467634_1_2

#
# COPYRIGHT NOTICE
#
# This CIF data is created using data from AtomWork, published 2010/06 by
# National Institute for Materials Science (NIMS), Tsukuba, Japan. Copyright
# 2010 by NIMS and  Materials Phases Data system (MPDS), Vitznau,
# Switzerland. All Rghts Reserved.
#
# DISCLAIMER
#
# The values reported here are taken from the literature and other sources and
# the author does not warrant their correctness nor accept any
# responsibility for errors. Users are advised to consult the primarysources.
#

_chemical_formula_sum 'O8 P2 Sr3'
_space_group_crystal_system trigonal
_symmetry_space_group_name_H-M 'R -3 m'
_symmetry_Int_Tables_number 166

loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 x-y,-y,-z
6 -x,-x+y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -y,-x,z
11 -x+y,y,z
12 x,x-y,z
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 y+2/3,x+1/3,-z+1/3
17 x-y+2/3,-y+1/3,-z+1/3
18 -x+2/3,-x+y+1/3,-z+1/3
19 -x+2/3,-y+1/3,-z+1/3
20 y+2/3,-x+y+1/3,-z+1/3
21 x-y+2/3,x+1/3,-z+1/3
22 -y+2/3,-x+1/3,z+1/3
23 -x+y+2/3,y+1/3,z+1/3
24 x+2/3,x-y+1/3,z+1/3
25 x+1/3,y+2/3,z+2/3
26 -y+1/3,x-y+2/3,z+2/3
27 -x+y+1/3,-x+2/3,z+2/3
28 y+1/3,x+2/3,-z+2/3
29 x-y+1/3,-y+2/3,-z+2/3
30 -x+1/3,-x+y+2/3,-z+2/3
31 -x+1/3,-y+2/3,-z+2/3
32 y+1/3,-x+y+2/3,-z+2/3
33 x-y+1/3,x+2/3,-z+2/3
34 -y+1/3,-x+2/3,z+2/3
35 -x+y+1/3,y+2/3,z+2/3
36 x+1/3,x-y+2/3,z+2/3

_cell_length_a 5.3887
_cell_length_b 5.3887
_cell_length_c 19.7949
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 497.8
_cell_formula_units_Z 3

loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_Wyckoff_symbol
    _atom_site_U_iso_or_equiv
    _atom_site_type_symbol
O2 0.49133 0.50867 0.22967 1.0 18 h ? O
Sr2 0 0 0.208 1.0 6 c ? Sr
O1 0 0 0.333 1.0 6 c ? O
P 0 0 0.412 1.0 6 c ? P
Sr1 0 0 0 1.0 3 a ? Sr

_publ_section_title 'The Crystal Structure of the Normal Orthophosphates of Barium and Strontium'
_journal_coden_ASTM ACCRA9
_journal_name_full 'Acta Crystallogr.'
_journal_year 1948
_journal_volume 1
_journal_page_first 263
_journal_page_last 265
_journal_language English

loop_
    _publ_author_name
'Zachariasen W.H.'
