data_SR3EU2GE6O18_publ

_pd_block_id
  2017-12-04T12:11|SR3EU2GE6O18|Chufarov|Stadi-P

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2017-12-04T12:11
_audit_author_name                     Chufarov
_audit_update_record
; 2017-12-04T12:11  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 1. SUBMISSION DETAILS

_publ_contact_author_name            'Lipina, Olga Andreevna'
_publ_contact_author_address            
'Inst. of Solid State Chemistry UB RAS 91, Pervomaiskaya, Ekaterinburg Russia'
_publ_contact_author_email           'LipinaOlgaA@yandex.ru'
_publ_contact_author_fax             ?
_publ_contact_author_phone           '+7 952 143 0282'

_publ_contact_letter
;
Please consider this CIF for publication. I certify that this contibution is the
original work of those listed as authors; that it has not been published
before (in any language or medium) and is not being considered for publication
elsewhere; that all authors concur with and are aware of the submission; that
all workers involved in the study are listed as authors or given proper credit
in the acknowledgements; that I have obtained permission for and acknowledged
the source of any excerpts from other copyright works; and that to the best of
my knowledge the paper contains no statements which are libellous, unlawful or
in any way actionable. All coauthors have made significant scientific
contributions to the work reported, including the ideas and their execution,
and share responsibility and accountability for the results.
;

_publ_requested_journal              'CrystEngComm'
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO

#==============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number      ?

_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code             ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                  ?
_journal_name_full                   'CrystEngComm'
_journal_year                        2018
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title 'Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La-Gd)'
_publ_section_title_footnote
; ?
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
	_publ_author_name
        _publ_author_footnote
	_publ_author_address
'Chufarov, Alexander Yu.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Lipina, Olga A.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Surat, Ludmila L.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Melkozerova, Marina A.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Baklanova, Yana V.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Enyashin, Andrey N.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Tyutyunnik, Alexander P.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Kellerman, Dina G.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'

'Zubkov, Vladimir G.'
','
'Inst. of Solid State Chemistry UB RAS, 91 Pervomaiskaya, Ekaterinburg, Russia'


#==============================================================================

# 4. TEXT

_publ_section_synopsis
;  ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here.
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_references
; ?
;
_publ_section_figure_captions
; ?
;
_publ_section_acknowledgements
; ?
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
; ?
;
_pd_proc_ls_special_details
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics     'ATOMS V6.3.4 ((c) 2008 by Shape Software)'
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      ?
_refine_ls_extinction_coef        ?
_refine_ls_number_constraints     ?

_refine_ls_restrained_S_all       ?
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              1140

_pd_char_colour                   white       # use ICDD colour descriptions

_refine_ls_shift/su_max                0.01
_refine_ls_shift/su_mean               0.00
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           100
_refine_ls_goodness_of_fit_all         2.03
_refine_ls_number_restraints           2
_refine_ls_matrix_type                 full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
"Tristrontium Bidysprosium Bisilicate"
_chemical_name_common             "Strontium Europium Germanate"
_chemical_formula_moiety          ?
_chemical_formula_structural      "Sr3 Eu2 (Ge3 O9)2"
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   "-C 2yc"

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      5.103
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      "not measured"

_cell_measurement_temperature     298(2)

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution
"GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)"

#==============================================================================

# 8. Phase information from GSAS




_pd_phase_name
    "from C:/GSAS/MyWork/Tarasova/Sr3Ln2Ge6O18/Sr3Gd2Ge6O18/NEW.EXP"
_cell_length_a                         13.97546(22)
_cell_length_b                         8.56246(15)
_cell_length_c                         14.08676(27)
_cell_angle_alpha                      90.0
_cell_angle_beta                       94.9703(9)
_cell_angle_gamma                      90.0
_cell_volume                           1679.34(8)
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "C 1 2/c 1"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y,-z+1/2 
      -1 -x,-y,-z 
      -2 +x,-y,+z+1/2 
     101 +x+1/2,+y+1/2,+z 
     102 -x+1/2,+y+1/2,-z+1/2 
    -101 -x+1/2,-y+1/2,-z 
    -102 +x+1/2,-y+1/2,+z+1/2 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Sr
Sr1     0.16789(26)  0.1278(6)    0.40878(22)  0.459(12)  Uiso   0.0355(27)    8
Eu
Eu1     0.16789(26)  0.1278(6)    0.40878(22)  0.541(12)  Uiso   0.0355(27)    8
Sr
Sr2     0.34282(30)  0.1275(8)    0.05242(26)  0.983(5)   Uiso   0.0410(27)    8
Eu
Eu2     0.34282(30)  0.1275(8)    0.05242(26)  0.017(5)   Uiso   0.0410(27)    8
Sr
Sr3     0.0          0.3829(6)    0.25         0.116(14)  Uiso   0.0168(30)    4
Eu
Eu3     0.0          0.3829(6)    0.25         0.884(14)  Uiso   0.0168(30)    4
Ge
Ge1     0.0871(4)    0.0478(6)    0.1239(4)    1.0        Uiso   0.0275(31)    8
Ge
Ge2     0.2622(4)    0.3572(11)   0.24436(35)  1.0        Uiso   0.0332(31)    8
Ge
Ge3     0.4085(4)    0.1824(7)    0.3851(4)    1.0        Uiso   0.0439(34)    8
O 
O1     -0.0095(15)   0.1855(26)   0.1299(14)   1.0        Uiso   0.0253(33)    8
O 
O2      0.0194(13)   0.1601(28)   0.5895(13)   1.0        Uiso   0.0253(33)    8
O 
O3      0.1598(14)   0.3463(29)   0.3125(13)   1.0        Uiso   0.0253(33)    8
O 
O4      0.1634(15)   0.0536(24)   0.0366(14)   1.0        Uiso   0.0253(33)    8
O 
O5      0.1475(19)   0.0021(26)   0.2269(16)   1.0        Uiso   0.0253(33)    8
O 
O6      0.2530(12)   0.3631(34)   0.1224(13)   1.0        Uiso   0.0253(33)    8
O 
O7      0.3308(17)   0.2114(25)   0.2765(15)   1.0        Uiso   0.0253(33)    8
O 
O8      0.3383(16)   0.1526(31)   0.4860(13)   1.0        Uiso   0.0253(33)    8
O 
O9      0.5263(15)   0.0432(29)   0.1373(16)   1.0        Uiso   0.0253(33)    8
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Eu2 Ge6 O18 Sr3"
_chemical_formula_weight               1290.3092
_cell_formula_units_Z                  4

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Sr1       O1               2.287(21)  .      2_555  N
  Sr1       O2               3.431(16)  .      1_555  N
  Sr1       O2               3.598(23)  .     -1_556  N
  Sr1       O3               2.308(23)  .      1_555  N
  Sr1       O4               2.384(22)  .     -2_555  N
  Sr1       O5               2.771(22)  .      1_555  N
  Sr1       O6               2.576(27)  .    102_545  N
  Sr1       O7               3.147(20)  .      1_555  N
  Sr1       O8               2.539(21)  .      1_555  N
  Sr1       O8               2.401(24)  .   -101_556  N
  Eu1       O1               2.287(21)  .      2_555  N
  Eu1       O2               3.431(16)  .      1_555  N
  Eu1       O2               3.598(23)  .     -1_556  N
  Eu1       O3               2.308(23)  .      1_555  N
  Eu1       O4               2.384(22)  .     -2_555  N
  Eu1       O5               2.771(22)  .      1_555  N
  Eu1       O6               2.576(27)  .    102_545  N
  Eu1       O7               3.147(20)  .      1_555  N
  Eu1       O8               2.539(21)  .      1_555  N
  Eu1       O8               2.401(24)  .   -101_556  N
  Sr2       O1               3.952(21)  .   -101_555  N
  Sr2       O2               3.074(20)  .   -102_554  N
  Sr2       O3               3.071(23)  .    102_545  N
  Sr2       O4               2.577(21)  .      1_555  N
  Sr2       O4               3.003(20)  .   -101_555  N
  Sr2       O5               3.976(23)  .      1_555  N
  Sr2       O6               2.614(25)  .      1_555  N
  Sr2       O6               2.700(18)  .   -101_555  N
  Sr2       O7               3.256(20)  .      1_555  N
  Sr2       O8               2.573(27)  .     -2_554  N
  Sr2       O9               2.828(21)  .      1_555  N
  Sr2       O9               3.670(22)  .     -1_655  N
  Eu2       O1               3.952(21)  .   -101_555  N
  Eu2       O2               3.074(20)  .   -102_554  N
  Eu2       O3               3.071(23)  .    102_545  N
  Eu2       O4               2.577(21)  .      1_555  N
  Eu2       O4               3.003(20)  .   -101_555  N
  Eu2       O5               3.976(23)  .      1_555  N
  Eu2       O6               2.614(25)  .      1_555  N
  Eu2       O6               2.700(18)  .   -101_555  N
  Eu2       O7               3.256(20)  .      1_555  N
  Eu2       O8               2.573(27)  .     -2_554  N
  Eu2       O9               2.828(21)  .      1_555  N
  Eu2       O9               3.670(22)  .     -1_655  N
  Sr3       O1               2.388(21)  .      1_555  N
  Sr3       O1               2.388(21)  .      2_555  N
  Sr3       O3               2.349(20)  .      1_555  N
  Sr3       O3               2.349(20)  .      2_555  N
  Sr3       O5               3.887(24)  .      1_555  N
  Sr3       O5               3.887(24)  .      2_555  N
  Sr3       O7               3.714(23)  .    101_455  N
  Sr3       O7               3.714(23)  .    102_555  N
  Sr3       O9               2.154(21)  .    101_455  N
  Sr3       O9               2.154(21)  .    102_555  N
  Eu3       O1               2.388(21)  .      1_555  N
  Eu3       O1               2.388(21)  .      2_555  N
  Eu3       O3               2.349(20)  .      1_555  N
  Eu3       O3               2.349(20)  .      2_555  N
  Eu3       O5               3.887(24)  .      1_555  N
  Eu3       O5               3.887(24)  .      2_555  N
  Eu3       O7               3.714(23)  .    101_455  N
  Eu3       O7               3.714(23)  .    102_555  N
  Eu3       O9               2.154(21)  .    101_455  N
  Eu3       O9               2.154(21)  .    102_555  N
  Ge1       Ge2              3.895(10)  .      1_555  N
  Ge1       Ge2               3.141(8)  .    102_545  N
  Ge1       Ge3               3.132(6)  .    102_545  N
  Ge1       O1               1.799(20)  .      1_555  N
  Ge1       O1               3.905(19)  .      2_555  N
  Ge1       O2               3.376(19)  .      2_555  N
  Ge1       O2               2.054(22)  .     -2_554  N
  Ge1       O3               3.762(22)  .      1_555  N
  Ge1       O3               3.968(21)  .    102_545  N
  Ge1       O4               1.696(20)  .      1_555  N
  Ge1       O5               1.661(22)  .      1_555  N
  Ge1       O6               3.560(24)  .      1_555  N
  Ge1       O7               3.362(22)  .    102_545  N
  Ge1       O8               3.901(26)  .    102_545  N
  Ge2       Ge1              3.895(10)  .      1_555  N
  Ge2       Ge1               3.141(8)  .    102_555  N
  Ge2       Ge3               3.106(9)  .      1_555  N
  Ge2       O2               3.684(19)  .   -101_556  N
  Ge2       O3               1.794(18)  .      1_555  N
  Ge2       O4               3.588(19)  .    102_555  N
  Ge2       O5               3.436(24)  .      1_555  N
  Ge2       O5               1.791(25)  .    102_555  N
  Ge2       O6               1.713(17)  .      1_555  N
  Ge2       O7               1.615(22)  .      1_555  N
  Ge2       O7               3.303(22)  .    102_555  N
  Ge2       O8               3.893(22)  .      1_555  N
  Ge2       O9               3.849(22)  .    101_455  N
  Ge3       Ge1               3.132(6)  .    102_555  N
  Ge3       Ge2               3.106(9)  .      1_555  N
  Ge3       O1               3.714(22)  .   -102_555  N
  Ge3       O2               1.703(22)  .   -101_556  N
  Ge3       O3               3.805(23)  .      1_555  N
  Ge3       O4               3.538(22)  .    102_555  N
  Ge3       O5               3.222(24)  .    102_555  N
  Ge3       O6               3.541(25)  .    102_545  N
  Ge3       O7               1.814(22)  .      1_555  N
  Ge3       O8               1.813(18)  .      1_555  N
  Ge3       O9               1.549(22)  .      2_655  N


loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  O1        Sr1       O3                 71.8(7)      2_555  .      1_555  N
  O1        Sr1       O4                103.4(7)      2_555  .     -2_555  N
  O1        Sr1       O5                 81.0(8)      2_555  .      1_555  N
  O1        Sr1       O6                124.8(7)      2_555  .    102_545  N
  O1        Sr1       O8                159.4(7)      2_555  .      1_555  N
  O1        Sr1       O8                 83.8(8)      2_555  .   -101_556  N
  O3        Sr1       O4                165.8(7)      1_555  .     -2_555  N
  O3        Sr1       O5                 77.0(8)      1_555  .      1_555  N
  O3        Sr1       O6                127.8(7)      1_555  .    102_545  N
  O3        Sr1       O8                100.4(8)      1_555  .      1_555  N
  O3        Sr1       O8                 74.1(7)      1_555  .   -101_556  N
  O4        Sr1       O5                116.0(6)     -2_555  .      1_555  N
  O4        Sr1       O6                 66.1(7)     -2_555  .    102_545  N
  O4        Sr1       O8                 79.4(8)     -2_555  .      1_555  N
  O4        Sr1       O8                 92.2(6)     -2_555  .   -101_556  N
  O5        Sr1       O6                 60.8(6)      1_555  .    102_545  N
  O5        Sr1       O8                116.5(8)      1_555  .      1_555  N
  O5        Sr1       O8                150.3(7)      1_555  .   -101_556  N
  O6        Sr1       O8                 75.3(8)    102_545  .      1_555  N
  O6        Sr1       O8                146.4(7)    102_545  .   -101_556  N
  O8        Sr1       O8                 75.7(9)      1_555  .   -101_556  N
  O1        Eu1       O3                 71.8(7)      2_555  .      1_555  N
  O1        Eu1       O4                103.4(7)      2_555  .     -2_555  N
  O1        Eu1       O5                 81.0(8)      2_555  .      1_555  N
  O1        Eu1       O6                124.8(7)      2_555  .    102_545  N
  O1        Eu1       O8                159.4(7)      2_555  .      1_555  N
  O1        Eu1       O8                 83.8(8)      2_555  .   -101_556  N
  O3        Eu1       O4                165.8(7)      1_555  .     -2_555  N
  O3        Eu1       O5                 77.0(8)      1_555  .      1_555  N
  O3        Eu1       O6                127.8(7)      1_555  .    102_545  N
  O3        Eu1       O8                100.4(8)      1_555  .      1_555  N
  O3        Eu1       O8                 74.1(7)      1_555  .   -101_556  N
  O4        Eu1       O5                116.0(6)     -2_555  .      1_555  N
  O4        Eu1       O6                 66.1(7)     -2_555  .    102_545  N
  O4        Eu1       O8                 79.4(8)     -2_555  .      1_555  N
  O4        Eu1       O8                 92.2(6)     -2_555  .   -101_556  N
  O5        Eu1       O6                 60.8(6)      1_555  .    102_545  N
  O5        Eu1       O8                116.5(8)      1_555  .      1_555  N
  O5        Eu1       O8                150.3(7)      1_555  .   -101_556  N
  O6        Eu1       O8                 75.3(8)    102_545  .      1_555  N
  O6        Eu1       O8                146.4(7)    102_545  .   -101_556  N
  O8        Eu1       O8                 75.7(9)      1_555  .   -101_556  N
  O4        Sr2       O4                101.2(6)      1_555  .   -101_555  N
  O4        Sr2       O6                 74.1(7)      1_555  .      1_555  N
  O4        Sr2       O6                 61.8(5)      1_555  .   -101_555  N
  O4        Sr2       O8                 75.3(8)      1_555  .     -2_554  N
  O4        Sr2       O9                144.5(7)      1_555  .      1_555  N
  O4        Sr2       O6                 57.2(6)   -101_555  .      1_555  N
  O4        Sr2       O6                 66.3(7)   -101_555  .   -101_555  N
  O4        Sr2       O8                134.2(6)   -101_555  .     -2_554  N
  O4        Sr2       O9                113.6(7)   -101_555  .      1_555  N
  O6        Sr2       O6                 96.0(6)      1_555  .   -101_555  N
  O6        Sr2       O8                149.2(6)      1_555  .     -2_554  N
  O6        Sr2       O9                119.0(6)      1_555  .      1_555  N
  O6        Sr2       O8                 72.6(8)   -101_555  .     -2_554  N
  O6        Sr2       O9                138.9(6)   -101_555  .      1_555  N
  O8        Sr2       O9                 84.8(7)     -2_554  .      1_555  N
  O4        Eu2       O6                 74.1(7)      1_555  .      1_555  N
  O4        Eu2       O6                 61.8(5)      1_555  .   -101_555  N
  O4        Eu2       O8                 75.3(8)      1_555  .     -2_554  N
  O4        Eu2       O9                144.5(7)      1_555  .      1_555  N
  O6        Eu2       O6                 96.0(6)      1_555  .   -101_555  N
  O6        Eu2       O8                149.2(6)      1_555  .     -2_554  N
  O6        Eu2       O9                119.0(6)      1_555  .      1_555  N
  O6        Eu2       O8                 72.6(8)   -101_555  .     -2_554  N
  O6        Eu2       O9                138.9(6)   -101_555  .      1_555  N
  O8        Eu2       O9                 84.8(7)     -2_554  .      1_555  N
  O1        Sr3       O1                89.8(10)      1_555  .      2_555  N
  O1        Sr3       O3                 99.4(7)      1_555  .      1_555  N
  O1        Sr3       O3                 69.3(8)      1_555  .      2_555  N
  O1        Sr3       O9                 86.1(7)      1_555  .    101_455  N
  O1        Sr3       O9                166.1(8)      1_555  .    102_555  N
  O1        Sr3       O3                 69.3(8)      2_555  .      1_555  N
  O1        Sr3       O3                 99.4(7)      2_555  .      2_555  N
  O1        Sr3       O9                166.1(8)      2_555  .    101_455  N
  O1        Sr3       O9                 86.1(7)      2_555  .    102_555  N
  O3        Sr3       O3               164.7(12)      1_555  .      2_555  N
  O3        Sr3       O9                 98.3(7)      1_555  .    101_455  N
  O3        Sr3       O9                 91.5(8)      1_555  .    102_555  N
  O3        Sr3       O9                 91.5(8)      2_555  .    101_455  N
  O3        Sr3       O9                 98.3(7)      2_555  .    102_555  N
  O9        Sr3       O9               100.8(13)    101_455  .    102_555  N
  O1        Eu3       O1                89.8(10)      1_555  .      2_555  N
  O1        Eu3       O3                 99.4(7)      1_555  .      1_555  N
  O1        Eu3       O3                 69.3(8)      1_555  .      2_555  N
  O1        Eu3       O9                 86.1(7)      1_555  .    101_455  N
  O1        Eu3       O9                166.1(8)      1_555  .    102_555  N
  O1        Eu3       O3                 69.3(8)      2_555  .      1_555  N
  O1        Eu3       O3                 99.4(7)      2_555  .      2_555  N
  O1        Eu3       O9                166.1(8)      2_555  .    101_455  N
  O1        Eu3       O9                 86.1(7)      2_555  .    102_555  N
  O3        Eu3       O3               164.7(12)      1_555  .      2_555  N
  O3        Eu3       O9                 98.3(7)      1_555  .    101_455  N
  O3        Eu3       O9                 91.5(8)      1_555  .    102_555  N
  O3        Eu3       O9                 91.5(8)      2_555  .    101_455  N
  O3        Eu3       O9                 98.3(7)      2_555  .    102_555  N
  O9        Eu3       O9               100.8(13)    101_455  .    102_555  N
  O1        Ge1       O2               104.3(10)      1_555  .     -2_554  N
  O1        Ge1       O4               122.4(10)      1_555  .      1_555  N
  O1        Ge1       O5               116.1(10)      1_555  .      1_555  N
  O2        Ge1       O4                 99.2(9)     -2_554  .      1_555  N
  O2        Ge1       O5                101.0(9)     -2_554  .      1_555  N
  O4        Ge1       O5               109.6(12)      1_555  .      1_555  N
  O3        Ge2       O5               119.6(10)      1_555  .    102_555  N
  O3        Ge2       O6                122.9(9)      1_555  .      1_555  N
  O3        Ge2       O7               107.0(11)      1_555  .      1_555  N
  O5        Ge2       O6               101.4(11)    102_555  .      1_555  N
  O5        Ge2       O7                 94.7(9)    102_555  .      1_555  N
  O6        Ge2       O7               107.2(12)      1_555  .      1_555  N
  O2        Ge3       O7               111.6(11)   -101_556  .      1_555  N
  O2        Ge3       O8               107.3(11)   -101_556  .      1_555  N
  O2        Ge3       O9               107.7(11)   -101_556  .      2_655  N
  O7        Ge3       O8               110.8(10)      1_555  .      1_555  N
  O7        Ge3       O9               104.6(11)      1_555  .      2_655  N
  O8        Ge3       O9               114.8(12)      1_555  .      2_655  N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
; ?
;
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
"external Si standard"

_diffrn_ambient_temperature       298
_diffrn_source                    "sealed X-ray tube"
_diffrn_source_target             Cu
_diffrn_source_type               "PHILIPS PW 2283/20"
_diffrn_measurement_device_type   "transmission diffractometer Stadi-P (STOE)"
_diffrn_detector                  "position sensitive detector"
_diffrn_detector_type             "linear mini-PSD (STOE)"
       # make or model of detector

_pd_meas_scan_method              step       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection
"STOE Powder Software Package (STOE, Germany)"
_computing_data_reduction
"STOE Powder Software Package (STOE, Germany)"

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   "Primary, curved Ge 111"

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           260
_pd_instr_dist_mono/spec          130
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          220

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               7       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               0.1       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
"powder on Mylar film"

_pd_spec_mount_mode               transmission       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    flat_sheet       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'







loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  Sr        12.0    0.000    0.000
 17.5663 1.55640 9.81840 14.0988 5.42200 0.16640 2.66940 132.376 2.50640 
  International_Tables_Vol_C
  Eu         8.0    0.000    0.000
 24.6274 2.38790 19.0886 0.19420 13.7603 13.7546 2.92270 123.174 2.57450 
  International_Tables_Vol_C
  Ge        24.0    0.000    0.000
 16.0816 2.85090 6.37470 0.25160 3.70680 11.4468 3.68300 54.7625 2.13130 
  International_Tables_Vol_C
  O         72.0    0.000    0.000
 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 
  International_Tables_Vol_C
_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.8
_diffrn_radiation_wavelength           1.54056
_diffrn_radiation_type                 'Cu K\a~1~'
_pd_proc_ls_prof_R_factor              0.0106
_pd_proc_ls_prof_wR_factor             0.0165
_pd_proc_ls_prof_wR_expected           0.0082
_refine_ls_R_Fsqd_factor               0.03945

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    13885.2     2:   -5367.13     3:    841.939     4:   -958.396    
      5:    356.312     6:   -143.107     7:    49.1619     8:   -6.46752    
      9:   0.633676    10:   -8.14568    11:    9.06489    12:  -0.198514    
     13:    8.75897    14:   -10.0976    15:  -0.582763    16:    4.01876    
     17:    4.22600    18:    6.47783    19:   -3.07278    20:   -1.42822    
     21:    10.6899    22:   -13.6252    23:   -7.51231    24:    7.89609    
     25:    2.25534    26:   -11.9138    27:    10.0164    28:   -5.09796    
     29:    2.70921    30:   -1.01099    31:   -6.27937    32:    7.76636    
     33:   -3.05407    34:   -28.2522    35:    16.4196    36:   -9.00828    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.14806         0.0000    
Correction is refined.
;
_exptl_absorpt_correction_T_min        1.25786
_exptl_absorpt_correction_T_max        1.65647
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000

_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   56.905 #2(GV)   =    0.000 #3(GW)   =    8.505
 #4(GP)   =    0.000 #5(LX)   =    0.000 #6(LY)   =   16.758
 #7(S/L)  =   0.0239 #8(H/L)  =   0.0268
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     1.10 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =   -0.011 #15(L22) =   -0.064 #16(L33) =    0.006
 #17(L12) =    0.079 #18(L13) =    0.000 #19(L23) =    0.030
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff 0.00100
_pd_proc_info_datetime                 2017-12-04T12:11:43
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              10.0
_pd_meas_2theta_range_max              119.98
_pd_meas_2theta_range_inc              0.02
_pd_proc_2theta_range_min              9.96545
_pd_proc_2theta_range_max              119.94545
_pd_proc_2theta_range_inc              0.02

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
  21539.0     0.0000464   21714.60547   21714.61328
  21588.0     0.0000463   21679.62305   21679.62891
  21564.0     0.0000464   21647.46680   21647.47266
  21461.0     0.0000466   21617.91992   21617.92188
  21579.0     0.0000463   21590.77734   21590.77930
  21563.0     0.0000464   21565.84961   21565.84961
  21595.0     0.0000463   21542.95508   21542.95313
  21727.0     0.0000460   21521.92188   21521.91992
  21576.0     0.0000463   21502.59375   21502.59180
  21589.0     0.0000463   21484.81836   21484.81641
  21399.0     0.0000467   21468.45703   21468.45508
  21520.0     0.0000465   21453.37695   21453.37500
  21514.0     0.0000465   21439.45508   21439.45117
  21551.0     0.0000464   21426.57617   21426.57227
  21604.0     0.0000463   21414.63086   21414.62891
  21538.0     0.0000464   21403.52148   21403.51758
  21582.0     0.0000463   21393.15234   21393.15039
  21256.0     0.0000470   21383.43750   21383.43555
  21209.0     0.0000471   21374.29688   21374.29492
  21566.0     0.0000464   21365.65234   21365.65039
  21389.0     0.0000468   21357.43945   21357.43750
  21215.0     0.0000471   21349.58984   21349.58789
  21435.0     0.0000467   21342.04688   21342.04688
  21202.0     0.0000472   21334.75586   21334.75391
  21088.0     0.0000474   21327.66602   21327.66406
  21221.0     0.0000471   21320.73047   21320.72852
  21253.0     0.0000471   21313.91016   21313.90820
  21424.0     0.0000467   21307.16406   21307.16602
  21411.0     0.0000467   21300.46289   21300.46289
  21441.0     0.0000466   21293.76953   21293.77148
  21219.0     0.0000471   21287.06055   21287.06055
  21221.0     0.0000471   21280.30859   21280.30859
  21278.0     0.0000470   21273.49023   21273.49219
  21378.0     0.0000468   21266.58984   21266.59180
  21056.0     0.0000475   21259.58594   21259.58789
  21260.0     0.0000470   21252.46484   21252.46680
  21272.0     0.0000470   21245.21289   21245.21680
  21224.0     0.0000471   21237.82227   21237.82422
  21019.0     0.0000476   21230.27930   21230.28320
  21263.0     0.0000470   21222.58008   21222.58398
  21131.0     0.0000473   21214.71680   21214.72070
  21431.0     0.0000467   21206.68555   21206.68750
  21348.0     0.0000468   21198.48047   21198.48438
  21343.0     0.0000469   21190.10547   21190.10938
  21177.0     0.0000472   21181.55469   21181.55859
  21220.0     0.0000471   21172.83203   21172.83594
  21307.0     0.0000469   21163.93555   21163.93945
  21263.0     0.0000470   21154.86719   21154.87305
  21107.0     0.0000474   21145.63281   21145.63672
  21167.0     0.0000472   21136.23438   21136.23828
  20860.0     0.0000479   21126.67578   21126.67969
  21050.0     0.0000475   21116.96289   21116.96680
  20936.0     0.0000478   21107.09961   21107.10352
  21066.0     0.0000475   21097.09180   21097.09570
  21151.0     0.0000473   21086.94727   21086.95117
  21100.0     0.0000474   21076.66992   21076.67383
  21139.0     0.0000473   21066.26953   21066.27148
  20971.0     0.0000477   21055.74805   21055.75195
  21130.0     0.0000473   21045.11914   21045.12109
  20857.0     0.0000479   21034.38477   21034.38672
  20634.0     0.0000485   21023.55469   21023.55664
  21046.0     0.0000475   21012.63477   21012.75391
  20930.0     0.0000478   21001.63672   21001.76172
  21014.0     0.0000476   20990.56250   20990.69141
  20818.0     0.0000480   20979.42188   20979.55859
  20849.0     0.0000480   20968.22461   20968.36719
  20814.0     0.0000480   20956.97461   20957.12500
  20926.0     0.0000478   20945.68164   20945.83984
  20883.0     0.0000479   20934.35156   20934.51953
  21080.0     0.0000474   20922.99219   20923.16992
  20784.0     0.0000481   20911.60938   20911.79688
  21002.0     0.0000476   20900.21094   20900.41016
  20916.0     0.0000478   20888.80469   20889.01563
  20921.0     0.0000478   20877.39453   20877.61914
  20887.0     0.0000479   20865.98828   20866.22852
  20556.0     0.0000486   20854.58984   20854.84766
  20777.0     0.0000481   20843.20703   20843.48438
  20740.0     0.0000482   20831.84570   20832.14453
  20878.0     0.0000479   20820.51172   20820.83203
  20771.0     0.0000481   20809.20703   20809.55469
  20765.0     0.0000482   20797.93945   20798.32031
  20796.0     0.0000481   20786.71289   20787.12891
  20801.0     0.0000481   20775.53125   20775.99023
  20720.0     0.0000483   20764.40039   20764.90625
  21016.0     0.0000476   20753.32227   20753.88672
  20741.0     0.0000482   20742.30078   20743.70508
  20563.0     0.0000486   20731.33984   20732.86914
  20852.0     0.0000480   20720.44336   20722.13281
  20806.0     0.0000481   20709.61328   20711.53711
  20772.0     0.0000481   20698.85352   20701.16016
  20762.0     0.0000482   20688.16406   20694.03320
  20785.0     0.0000481   20677.55078   20684.58398
  20854.0     0.0000480   20667.01367   20675.65234
  20692.0     0.0000483   20656.55469   20667.21875
  20643.0     0.0000484   20646.17383   20659.23242
  20693.0     0.0000483   20635.87695   20651.67969
  20758.0     0.0000482   20625.66016   20644.58398
  20593.0     0.0000486   20615.52734   20638.00391
  20604.0     0.0000485   20605.47852   20632.04297
  20654.0     0.0000484   20595.51563   20626.85547
  20768.0     0.0000482   20585.63672   20622.66406
  20518.0     0.0000487   20575.84375   20619.83398
  20534.0     0.0000487   20566.13672   20619.03906
  20577.0     0.0000486   20556.51563   20621.45313
  20749.0     0.0000482   20546.97852   20628.64453
  20861.0     0.0000479   20537.52539   20640.84180
  20545.0     0.0000487   20528.15820   20653.23828
  20885.0     0.0000479   20518.87305   20654.08594
  21084.0     0.0000474   20509.66992   20631.49805
  20515.0     0.0000487   20500.55078   20589.93945
  20445.0     0.0000489   20491.50977   20548.67188
  20576.0     0.0000486   20482.54883   20519.30859
  20538.0     0.0000487   20473.66602   20501.84180
  20270.0     0.0000493   20464.85938   20491.79492
  20462.0     0.0000489   20456.12695   20486.03516
  20524.0     0.0000487   20447.46875   20483.87695
  20673.0     0.0000484   20438.88086   20485.77148
  20697.0     0.0000483   20430.36328   20492.33789
  20526.0     0.0000487   20421.91406   20504.67969
  20517.0     0.0000487   20413.53125   20525.58398
  20528.0     0.0000487   20405.21094   20559.83398
  20665.0     0.0000484   20396.95313   20612.40625
  20659.0     0.0000484   20388.75586   20685.69531
  20649.0     0.0000484   20380.61523   20779.30469
  20979.0     0.0000477   20372.53125   20892.81836
  20982.0     0.0000477   20364.50000   21028.33398
  21028.0     0.0000476   20356.52148   21204.70508
  21404.0     0.0000467   20348.58984   21409.08789
  21377.0     0.0000468   20340.70508   21670.34961
  21660.0     0.0000462   20332.86523   21998.58984
  22209.0     0.0000450   20325.06641   22371.09961
  22567.0     0.0000443   20317.30859   22722.67773
  22871.0     0.0000437   20309.58789   23007.06250
  23094.0     0.0000433   20301.90039   23322.87305
  23826.0     0.0000420   20294.24805   23846.44727
  24570.0     0.0000407   20286.62500   24507.33398
  24923.0     0.0000401   20279.02930   24845.15820
  24537.0     0.0000408   20271.46289   24325.89648
  23508.0     0.0000425   20263.91797   23051.97070
  22128.0     0.0000452   20256.39453   21763.45703
  21248.0     0.0000471   20248.89063   20936.12109
  21105.0     0.0000474   20241.40430   20555.12109
  20512.0     0.0000488   20233.93359   20414.34570
  20502.0     0.0000488   20226.47656   20361.10156
  20266.0     0.0000493   20219.02930   20333.64453
  20447.0     0.0000489   20211.59180   20314.88867
  20375.0     0.0000491   20204.16016   20300.66406
  20033.0     0.0000499   20196.73438   20289.60938
  20226.0     0.0000494   20189.31250   20281.06250
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  8822.0      0.0001134   8690.72656    8839.20215
  8848.0      0.0001130   8684.38086    8832.43652
  8796.0      0.0001137   8677.23828    8825.27246
  8883.0      0.0001126   8669.22266    8817.60254
  8782.0      0.0001139   8660.26270    8809.34082
  8870.0      0.0001127   8650.26953    8800.32910
  8731.0      0.0001145   8639.16602    8790.45605
  8813.0     .            .             .
_pd_meas_number_of_points              5500
_pd_proc_number_of_points              5500

_reflns_number_total                   1253
_reflns_limit_h_min                    0
_reflns_limit_h_max                    16
_reflns_limit_k_min                    0
_reflns_limit_k_max                    9
_reflns_limit_l_min                    -16
_reflns_limit_l_max                    16
_reflns_d_resolution_high              0.890
_reflns_d_resolution_low               7.294
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
