#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007916.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007916
loop_
_publ_author_name
'Tahiri, A. A.'
'Bali, B. E.'
'Lachkar, M.'
'Ouarsal, R.'
'Zavalij, P. Y.'
_publ_section_title
;
 SrMgP2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i9
_journal_page_last               i11
_journal_paper_doi               10.1107/S1600536801020633
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     SrMgP2O7
_chemical_formula_sum            'Mg O7 P2 Sr'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.502
_cell_angle_gamma                90
_cell_length_a                   5.3046
_cell_length_b                   8.3053
_cell_length_c                   12.700
_cell_formula_units_Z            4
_cell_volume                     559.493
_database_code_amcsd             0010374
_exptl_crystal_density_diffrn    3.394
_cod_original_formula_sum        'Sr Mg P2 O7'
_cod_database_code               9007916
_amcsd_formula_title             SrMgP2O7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr1 0.21537 0.33976 0.72107 0.01000
Mg1 0.67840 0.14930 0.89100 0.00960
P1 0.74590 0.03570 0.66719 0.00760
P2 0.68680 0.29990 0.51986 0.00760
O1 0.73310 0.11570 0.55300 0.01070
O2 0.68310 -0.13930 0.65330 0.01050
O3 0.00630 0.06520 0.71260 0.01520
O4 0.54710 0.11580 0.73480 0.01030
O5 0.80490 0.31150 0.41180 0.01110
O7 0.40460 0.33090 0.52330 0.01110
O6 0.82750 0.40430 0.60000 0.01050
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010374
