data_La865Sr135Ge_LT_publ

_pd_block_id
  2006-11-06T16:15|La865Sr135Ge_LT|M._A._G._Aranda|Overall

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2006-11-06T16:15
_audit_author_name                     "M. A. G. Aranda"
_audit_update_record
; 2006-11-06T16:15  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

data_global
_journal_name_full               'Dalton Trans.'

_publ_contact_author_name            ?   # M.A.G. Aranda
_publ_contact_author_address             # University of Malaga
; ?
;
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?

_publ_contact_letter
; ?
;

_publ_requested_journal              ?
_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                   ?
_journal_year                        ?
_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
; ?
;
_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
 ?                                   #<--'Last name, first name'
; ?
;
; ?
;

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

# 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     ?
_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              ?

_pd_char_colour                   ?       # use ICDD colour descriptions
data_La865Sr135Ge_LT_overall

_refine_ls_shift/su_max                0.05
_refine_ls_shift/su_mean               0.01
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           67
_refine_ls_goodness_of_fit_all         2.36
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full

# pointers to the phase blocks
loop_   _pd_phase_block_id
      2006-11-06T16:15|La865Sr135Ge_LT_phase1|M._A._G._Aranda||
# pointers to the diffraction patterns
loop_   _pd_block_diffractogram_id
      ?

# Information for phase 1
data_La865Sr135Ge_LT_phase_1

_pd_block_id
  2006-11-06T16:15|La865Sr135Ge_LT_phase1|M._A._G._Aranda||

#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   ?

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      ?
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?

_cell_measurement_temperature     ?

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     ?

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

# 8. Phase information from GSAS

_pd_phase_name
    "from C:/RIETVELD/Apatito/SINQ_02/La9.55Si/La955Si6_RT/LA955SI.EXP"
_cell_length_a                         9.8914(6)
_cell_length_b                         9.8914
_cell_length_c                         7.3184(5)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      120.0
_cell_volume                           620.10(10)
_symmetry_cell_setting                 hexagonal
_symmetry_space_group_name_H-M         "P 63/m"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 x-y,+x,+z+1/2 
       3 -y,x-y,+z 
       4 -x,-y,+z+1/2 
       5 y-x,-x,+z 
       6 +y,y-x,+z+1/2 
      -1 -x,-y,-z 
      -2 y-x,-x,-z+1/2 
      -3 +y,y-x,-z 
      -4 +x,+y,-z+1/2 
      -5 x-y,+x,-z 
      -6 -y,x-y,-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
La
La1     0.23050(9)  -0.01087(11)  0.25         1.0        Uani   0.0055        6
La
La2     0.3333       0.6667       0.00077(17)  0.6625     Uani   0.01027       4
Ge
Ge      0.40073(9)   0.37261(8)   0.25         1.0        Uani   0.00385       6
O 
O1      0.31200(16)  0.48703(17)  0.25         1.0        Uani   0.01152       6
O 
O2      0.60420(13)  0.47654(14)  0.25         1.0        Uani   0.01179       6
O 
O3      0.34181(15)  0.24837(12)  0.06139(12)  1.0        Uani   0.01955      12
O 
O4      0.0          0.0          0.25         0.873(10)  Uani   0.01113       2
Sr
Sr2     0.3333       0.6667       0.00077(17)  0.3375     Uani   0.01027       4
O 
O5      0.0197(24)   0.2543(19)   0.6044(19)   0.0490(25) Uiso   0.01         12


loop_ _atom_type_symbol
      _atom_type_number_in_cell
                   La  8.65       
                   Ge  6.0        
                   O  26.334      
                   Sr  1.35       
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Ge La1.44 O4.39 Sr0.23"
_chemical_formula_weight               362.78
_cell_formula_units_Z                  6

# 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
  La1       La1             4.0453(14)  .      3_555  N
  La1       La1             4.0453(14)  .      5_555  N
  La1       Ge              3.2919(12)  .      1_555  N
  La1       Ge              3.3984(13)  .      5_555  N
  La1       O1              2.7457(18)  .      5_555  N
  La1       O2              2.5108(14)  .      3_655  N
  La1       O3              2.6210(14)  .      1_555  N
  La1       O3               2.4568(9)  .      6_555  N
  La1       O3               2.4568(9)  .     -3_555  N
  La1       O3              2.6210(14)  .     -4_555  N
  La1       O4               2.3356(8)  .      1_555  N
  La1       Sr2             4.2161(10)  .      1_545  N
  La1       Sr2             4.3451(10)  .      2_655  N
  La1       Sr2             4.3457(10)  .     -1_665  N
  La1       Sr2             4.2167(10)  .     -2_555  N
  La1       O5               2.664(19)  .      4_554  N
  La1       O5               2.596(14)  .      5_555  N
  La1       O5               2.552(19)  .      6_554  N
  La1       O5               2.664(19)  .     -1_556  N
  La1       O5               2.596(14)  .     -2_555  N
  La1       O5               2.552(19)  .     -3_556  N
  La2       La2             3.6705(25)  .     -2_564  N
  La2       La2             3.6479(25)  .     -2_565  N
  La2       Ge              3.3853(10)  .      2_554  N
  La2       Ge              3.3858(10)  .      4_664  N
  La2       Ge              3.3850(10)  .      6_564  N
  La2       O1              2.4809(12)  .      1_555  N
  La2       O1              2.4806(12)  .      3_665  N
  La2       O1              2.4802(12)  .      5_565  N
  La2       O2              2.5749(13)  .      2_554  N
  La2       O2              2.5756(13)  .      4_664  N
  La2       O2              2.5751(13)  .      6_564  N
  La2       O3              2.9224(14)  .     -1_665  N
  La2       O3              2.9215(14)  .     -3_565  N
  La2       O3              2.9222(14)  .     -5_555  N
  La2       Sr2             3.6705(25)  .     -2_564  N
  La2       Sr2             3.6479(25)  .     -2_565  N
  Ge        La1             3.2919(12)  .      1_555  N
  Ge        La1             3.3984(13)  .      3_555  N
  Ge        La2             3.3850(10)  .      2_655  N
  Ge        La2             3.3858(10)  .     -1_665  N
  Ge        O1              1.7448(11)  .      1_555  N
  Ge        O2              1.7431(14)  .      1_555  N
  Ge        O3               1.7433(9)  .      1_555  N
  Ge        O3               1.7433(9)  .     -4_555  N
  Ge        Sr2              3.7648(9)  .      1_555  N
  Ge        Sr2             3.3850(10)  .      2_655  N
  Ge        Sr2             3.3858(10)  .     -1_665  N
  Ge        Sr2              3.7642(9)  .     -2_565  N
  Ge        O5               1.767(15)  .      6_554  N
  Ge        O5               1.767(15)  .     -3_556  N
  O1        La1             2.7457(18)  .      3_555  N
  O1        La2             2.4809(12)  .      1_555  N
  O1        La2             2.4806(12)  .     -2_565  N
  O1        Ge              1.7448(11)  .      1_555  N
  O1        Sr2             2.4809(12)  .      1_555  N
  O1        Sr2             2.4806(12)  .     -2_565  N
  O2        La1             2.5108(14)  .      5_665  N
  O2        La2             2.5751(13)  .      2_655  N
  O2        La2             2.5756(13)  .     -1_665  N
  O2        Ge              1.7431(14)  .      1_555  N
  O2        Sr2             2.5751(13)  .      2_655  N
  O2        Sr2             2.5756(13)  .     -1_665  N
  O3        La1             2.6210(14)  .      1_555  N
  O3        La1              2.4568(9)  .      2_554  N
  O3        La2             2.9224(14)  .     -1_665  N
  O3        Ge               1.7433(9)  .      1_555  N
  O3        Sr2             2.9224(14)  .     -1_665  N
  O3        O5               0.866(18)  .      6_554  N
  O4        La1              2.3356(8)  .      1_555  N
  O4        La1              2.3356(8)  .      3_555  N
  O4        La1              2.3356(8)  .      5_555  N
  Sr2       La1             4.2161(10)  .      1_565  N
  Sr2       La1             4.3460(10)  .      2_554  N
  Sr2       La1             4.2167(10)  .      3_555  N
  Sr2       La1             4.3457(10)  .      4_664  N
  Sr2       La1             4.2169(10)  .      5_665  N
  Sr2       La1             4.3451(10)  .      6_564  N
  Sr2       La2             3.6705(25)  .     -2_564  N
  Sr2       La2             3.6479(25)  .     -2_565  N
  Sr2       Ge               3.7648(9)  .      1_555  N
  Sr2       Ge              3.3853(10)  .      2_554  N
  Sr2       Ge               3.7642(9)  .      3_665  N
  Sr2       Ge              3.3858(10)  .      4_664  N
  Sr2       Ge               3.7639(9)  .      5_565  N
  Sr2       Ge              3.3850(10)  .      6_564  N
  Sr2       O1              2.4809(12)  .      1_555  N
  Sr2       O1              2.4806(12)  .      3_665  N
  Sr2       O1              2.4802(12)  .      5_565  N
  Sr2       O2              2.5749(13)  .      2_554  N
  Sr2       O2              2.5756(13)  .      4_664  N
  Sr2       O2              2.5751(13)  .      6_564  N
  Sr2       O3              2.9224(14)  .     -1_665  N
  Sr2       O3              2.9215(14)  .     -3_565  N
  Sr2       O3              2.9222(14)  .     -5_555  N
  Sr2       Sr2             3.6705(25)  .     -2_564  N
  Sr2       Sr2             3.6479(25)  .     -2_565  N
  O5        La1              2.552(19)  .      2_555  N
  O5        La1              2.596(14)  .      3_555  N
  O5        La1              2.664(19)  .      4_555  N
  O5        Ge               1.767(15)  .      2_555  N
  O5        O3               0.866(18)  .      2_555  N
  O5        O5               2.131(29)  .     -4_556  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        La1       O2                98.17(5)      5_555  .      3_655  N
  O1        La1       O3             145.052(30)      5_555  .      1_555  N
  O1        La1       O3                69.39(4)      5_555  .      6_555  N
  O1        La1       O3                69.39(4)      5_555  .     -3_555  N
  O1        La1       O3             145.052(30)      5_555  .     -4_556  N
  O1        La1       O4               112.32(4)      5_555  .      1_555  N
  O1        La1       O5                 55.1(4)      5_555  .      4_554  N
  O1        La1       O5                 87.8(4)      5_555  .      5_555  N
  O1        La1       O5              154.86(34)      5_555  .      6_554  N
  O1        La1       O5                 55.1(4)      5_555  .     -1_556  N
  O1        La1       O5                 87.8(4)      5_555  .     -2_556  N
  O1        La1       O5              154.86(34)      5_555  .     -3_556  N
  O2        La1       O3                70.15(4)      3_655  .      1_555  N
  O2        La1       O3              85.766(32)      3_655  .      6_555  N
  O2        La1       O3              85.766(32)      3_655  .     -3_555  N
  O2        La1       O3                70.15(4)      3_655  .     -4_556  N
  O2        La1       O4               149.51(6)      3_655  .      1_555  N
  O2        La1       O5                142.2(4)      3_655  .      4_554  N
  O2        La1       O5                 89.2(4)      3_655  .      5_555  N
  O2        La1       O5                 87.1(4)      3_655  .      6_554  N
  O2        La1       O5                142.2(4)      3_655  .     -1_556  N
  O2        La1       O5                 89.2(4)      3_655  .     -2_556  N
  O2        La1       O5                 87.1(4)      3_655  .     -3_556  N
  O3        La1       O3               138.49(5)      1_555  .      6_555  N
  O3        La1       O3              76.813(21)      1_555  .     -3_555  N
  O3        La1       O3                63.56(4)      1_555  .     -4_556  N
  O3        La1       O4                84.10(4)      1_555  .      1_555  N
  O3        La1       O5              114.80(31)      1_555  .      4_554  N
  O3        La1       O5                123.6(5)      1_555  .      5_555  N
  O3        La1       O5                 19.2(4)      1_555  .      6_554  N
  O3        La1       O5                147.2(4)      1_555  .     -1_556  N
  O3        La1       O5                 60.1(5)      1_555  .     -2_556  N
  O3        La1       O5               59.70(33)      1_555  .     -3_556  N
  O3        La1       O3               136.12(8)      6_555  .     -3_555  N
  O3        La1       O3              76.813(21)      6_555  .     -4_556  N
  O3        La1       O4             104.446(34)      6_555  .      1_555  N
  O3        La1       O5              105.03(30)      6_555  .      4_554  N
  O3        La1       O5                 19.5(4)      6_555  .      5_555  N
  O3        La1       O5                135.7(4)      6_555  .      6_554  N
  O3        La1       O5               61.15(33)      6_555  .     -1_556  N
  O3        La1       O5                155.6(4)      6_555  .     -2_556  N
  O3        La1       O5                 86.6(4)      6_555  .     -3_556  N
  O3        La1       O3               138.49(5)     -3_555  .     -4_556  N
  O3        La1       O4             104.446(34)     -3_555  .      1_555  N
  O3        La1       O5               61.15(33)     -3_555  .      4_554  N
  O3        La1       O5                155.6(4)     -3_555  .      5_555  N
  O3        La1       O5                 86.6(4)     -3_555  .      6_554  N
  O3        La1       O5              105.03(30)     -3_555  .     -1_556  N
  O3        La1       O5                 19.5(4)     -3_555  .     -2_556  N
  O3        La1       O5                135.7(4)     -3_555  .     -3_556  N
  O3        La1       O4                84.10(4)     -4_556  .      1_555  N
  O3        La1       O5                147.2(4)     -4_556  .      4_554  N
  O3        La1       O5                 60.1(5)     -4_556  .      5_555  N
  O3        La1       O5               59.70(33)     -4_556  .      6_554  N
  O3        La1       O5              114.80(31)     -4_556  .     -1_556  N
  O3        La1       O5                123.6(5)     -4_556  .     -2_556  N
  O3        La1       O5                 19.2(4)     -4_556  .     -3_556  N
  O4        La1       O5                 63.5(4)      1_555  .      4_554  N
  O4        La1       O5                 91.9(4)      1_555  .      5_555  N
  O4        La1       O5                 65.4(4)      1_555  .      6_554  N
  O4        La1       O5                 63.5(4)      1_555  .     -1_556  N
  O4        La1       O5                 91.9(4)      1_555  .     -2_556  N
  O4        La1       O5                 65.4(4)      1_555  .     -3_556  N
  O5        La1       O5                113.1(6)      4_554  .      5_555  N
  O5        La1       O5                107.1(6)      4_554  .      6_554  N
  O5        La1       O5                 47.1(6)      4_554  .     -1_556  N
  O5        La1       O5                 66.0(5)      4_554  .     -2_556  N
  O5        La1       O5                128.9(6)      4_554  .     -3_556  N
  O5        La1       O5                117.0(7)      5_555  .      6_554  N
  O5        La1       O5                 66.0(5)      5_555  .     -1_556  N
  O5        La1       O5                175.0(8)      5_555  .     -2_556  N
  O5        La1       O5                 67.6(4)      5_555  .     -3_556  N
  O5        La1       O5                128.9(6)      6_554  .     -1_556  N
  O5        La1       O5                 67.6(4)      6_554  .     -2_556  N
  O5        La1       O5                 49.4(7)      6_554  .     -3_556  N
  O5        La1       O5                113.1(6)     -1_556  .     -2_556  N
  O5        La1       O5                107.1(6)     -1_556  .     -3_556  N
  O5        La1       O5                117.0(7)     -2_556  .     -3_556  N
  La2       La2       La2               179.9604     -2_564  .     -2_565  N
  La2       La2       O1             137.317(30)     -2_565  .      1_555  N
  La2       La2       O1             137.321(30)     -2_565  .      3_665  N
  La2       La2       O1             137.355(30)     -2_565  .      5_565  N
  La2       La2       O2              44.556(30)     -2_565  .      2_554  N
  La2       La2       O2              44.545(30)     -2_565  .      4_664  N
  La2       La2       O2              44.541(30)     -2_565  .      6_564  N
  La2       La2       Sr2                    0.0     -2_565  .     -2_565  N
  La2       La2       Sr2               179.9604     -2_565  .     -2_566  N
  La2       La2       O1              42.671(30)     -2_566  .      1_555  N
  La2       La2       O1              42.661(30)     -2_566  .      3_665  N
  La2       La2       O1              42.676(30)     -2_566  .      5_565  N
  La2       La2       O2             135.474(30)     -2_566  .      2_554  N
  La2       La2       O2             135.432(30)     -2_566  .      4_664  N
  La2       La2       O2             135.452(30)     -2_566  .      6_564  N
  La2       La2       Sr2               179.9604     -2_566  .     -2_565  N
  La2       La2       Sr2                    0.0     -2_566  .     -2_566  N
  O1        La2       O1                71.88(5)      1_555  .      3_665  N
  O1        La2       O1                71.88(5)      1_555  .      5_565  N
  O1        La2       O2               125.31(4)      1_555  .      2_554  N
  O1        La2       O2              95.025(29)      1_555  .      4_664  N
  O1        La2       O2               154.95(4)      1_555  .      6_564  N
  O1        La2       Sr2            137.317(30)      1_555  .     -2_565  N
  O1        La2       Sr2             42.671(30)      1_555  .     -2_566  N
  O1        La2       O1                71.89(5)      3_665  .      5_565  N
  O1        La2       O2               154.99(4)      3_665  .      2_554  N
  O1        La2       O2               125.30(4)      3_665  .      4_664  N
  O1        La2       O2              95.045(29)      3_665  .      6_564  N
  O1        La2       Sr2            137.321(30)      3_665  .     -2_565  N
  O1        La2       Sr2             42.661(30)      3_665  .     -2_566  N
  O1        La2       O2              95.058(29)      5_565  .      2_554  N
  O1        La2       O2               154.96(4)      5_565  .      4_664  N
  O1        La2       O2               125.34(4)      5_565  .      6_564  N
  O1        La2       Sr2            137.355(30)      5_565  .     -2_565  N
  O1        La2       Sr2             42.676(30)      5_565  .     -2_566  N
  O2        La2       O2                74.82(5)      2_554  .      4_664  N
  O2        La2       O2                74.83(5)      2_554  .      6_564  N
  O2        La2       Sr2             44.556(30)      2_554  .     -2_565  N
  O2        La2       Sr2            135.474(30)      2_554  .     -2_566  N
  O2        La2       O2                74.82(5)      4_664  .      6_564  N
  O2        La2       Sr2             44.545(30)      4_664  .     -2_565  N
  O2        La2       Sr2            135.432(30)      4_664  .     -2_566  N
  O2        La2       Sr2             44.541(30)      6_564  .     -2_565  N
  O2        La2       Sr2            135.452(30)      6_564  .     -2_566  N
  Sr2       La2       Sr2               179.9604     -2_565  .     -2_566  N
  O1        Ge        O2               115.11(8)      1_555  .      1_555  N
  O1        Ge        O3               110.98(5)      1_555  .      1_555  N
  O1        Ge        O3               110.98(5)      1_555  .     -4_556  N
  O1        Ge        Sr2              138.26(4)      1_555  .      2_655  N
  O1        Ge        Sr2              138.26(4)      1_555  .     -1_665  N
  O1        Ge        O5                 91.0(7)      1_555  .      6_554  N
  O1        Ge        O5                 91.0(7)      1_555  .     -3_556  N
  O2        Ge        O3               107.23(6)      1_555  .      1_555  N
  O2        Ge        O3               107.23(6)      1_555  .     -4_556  N
  O2        Ge        Sr2             48.200(35)      1_555  .      2_655  N
  O2        Ge        Sr2             48.193(35)      1_555  .     -1_665  N
  O2        Ge        O5                135.6(6)      1_555  .      6_554  N
  O2        Ge        O5                135.6(6)      1_555  .     -3_556  N
  O3        Ge        O3               104.71(8)      1_555  .     -4_556  N
  O3        Ge        Sr2              110.70(5)      1_555  .      2_655  N
  O3        Ge        Sr2               59.66(5)      1_555  .     -1_665  N
  O3        Ge        O5                 28.5(6)      1_555  .      6_554  N
  O3        Ge        O5                 94.4(5)      1_555  .     -3_556  N
  O3        Ge        Sr2               59.66(5)     -4_556  .      2_655  N
  O3        Ge        Sr2              110.69(5)     -4_556  .     -1_665  N
  O3        Ge        O5                 94.4(5)     -4_556  .      6_554  N
  O3        Ge        O5                 28.5(6)     -4_556  .     -3_556  N
  Sr2       Ge        Sr2               65.65(4)      2_655  .     -1_665  N
  Sr2       Ge        O5                128.5(7)      2_655  .      6_554  N
  Sr2       Ge        O5                 88.2(6)      2_655  .     -3_556  N
  Sr2       Ge        O5                 88.2(6)     -1_665  .      6_554  N
  Sr2       Ge        O5                128.5(7)     -1_665  .     -3_556  N
  O5        Ge        O5                74.2(10)      6_554  .     -3_556  N
  La1       O1        La2              107.46(4)      3_555  .      1_555  N
  La1       O1        La2              107.47(4)      3_555  .     -2_565  N
  La1       O1        Ge                95.79(6)      3_555  .      1_555  N
  La1       O1        Sr2              107.46(4)      3_555  .      1_555  N
  La1       O1        Sr2              107.47(4)      3_555  .     -2_566  N
  La2       O1        La2               94.65(6)      1_555  .     -2_565  N
  La2       O1        Ge               125.07(4)      1_555  .      1_555  N
  La2       O1        Sr2                    0.0      1_555  .      1_555  N
  La2       O1        Sr2               94.65(6)      1_555  .     -2_566  N
  La2       O1        Ge               125.05(4)     -2_565  .      1_555  N
  La2       O1        Sr2               94.65(6)     -2_566  .      1_555  N
  La2       O1        Sr2                    0.0     -2_566  .     -2_566  N
  Ge        O1        Sr2              125.07(4)      1_555  .      1_555  N
  Ge        O1        Sr2              125.05(4)      1_555  .     -2_566  N
  Sr2       O1        Sr2               94.65(6)      1_555  .     -2_566  N
  La1       O2        La2              117.40(4)      5_665  .      2_655  N
  La1       O2        La2              117.39(4)      5_665  .     -1_665  N
  La1       O2        Ge               122.51(8)      5_665  .      1_555  N
  La1       O2        Sr2              117.40(4)      5_665  .      2_655  N
  La1       O2        Sr2              117.39(4)      5_665  .     -1_665  N
  La2       O2        La2               90.90(6)      2_655  .     -1_665  N
  La2       O2        Ge               101.49(4)      2_655  .      1_555  N
  La2       O2        Sr2                    0.0      2_655  .      2_655  N
  La2       O2        Sr2               90.90(6)      2_655  .     -1_665  N
  La2       O2        Ge               101.51(4)     -1_665  .      1_555  N
  La2       O2        Sr2               90.90(6)     -1_665  .      2_655  N
  La2       O2        Sr2                    0.0     -1_665  .     -1_665  N
  Ge        O2        Sr2              101.49(4)      1_555  .      2_655  N
  Ge        O2        Sr2              101.51(4)      1_555  .     -1_665  N
  Sr2       O2        Sr2               90.90(6)      2_655  .     -1_665  N
  La1       O3        La1              117.46(5)      1_555  .      2_554  N
  La1       O3        Ge                95.83(5)      1_555  .      1_555  N
  La1       O3        Sr2              103.11(4)      1_555  .     -1_665  N
  La1       O3        O5                75.9(13)      1_555  .      6_554  N
  La1       O3        Ge               139.98(6)      2_554  .      1_555  N
  La1       O3        Sr2              102.90(5)      2_554  .     -1_665  N
  La1       O3        O5                 89.4(9)      2_554  .      6_554  N
  Ge        O3        Sr2               89.35(6)      1_555  .     -1_665  N
  Ge        O3        O5                77.2(10)      1_555  .      6_554  N
  Sr2       O3        O5               166.3(10)     -1_665  .      6_554  N
  La1       O4        La1                  120.0      1_555  .      3_555  N
  La1       O4        La1                  120.0      1_555  .      5_555  N
  La1       O4        La1                  120.0      3_555  .      5_555  N
  La2       Sr2       La2               179.9604     -2_564  .     -2_565  N
  La2       Sr2       Ge              57.181(19)     -2_564  .      2_554  N
  La2       Sr2       Ge              57.162(19)     -2_564  .      4_664  N
  La2       Sr2       Ge              57.174(19)     -2_564  .      6_564  N
  La2       Sr2       O1             137.317(30)     -2_565  .      1_555  N
  La2       Sr2       O1             137.321(30)     -2_565  .      3_665  N
  La2       Sr2       O1             137.355(30)     -2_565  .      5_565  N
  La2       Sr2       O2              44.556(30)     -2_565  .      2_554  N
  La2       Sr2       O2              44.545(30)     -2_565  .      4_664  N
  La2       Sr2       O2              44.541(30)     -2_565  .      6_564  N
  La2       Sr2       O3              81.030(29)     -2_565  .     -1_665  N
  La2       Sr2       O3              81.052(29)     -2_565  .     -3_565  N
  La2       Sr2       O3              81.048(29)     -2_565  .     -5_555  N
  La2       Sr2       Sr2                    0.0     -2_565  .     -2_565  N
  La2       Sr2       Sr2               179.9604     -2_565  .     -2_566  N
  La2       Sr2       Ge             122.838(19)     -2_565  .      2_554  N
  La2       Sr2       Ge             122.807(19)     -2_565  .      4_664  N
  La2       Sr2       Ge             122.838(19)     -2_565  .      6_564  N
  La2       Sr2       O1              42.671(30)     -2_566  .      1_555  N
  La2       Sr2       O1              42.661(30)     -2_566  .      3_665  N
  La2       Sr2       O1              42.676(30)     -2_566  .      5_565  N
  La2       Sr2       O2             135.474(30)     -2_566  .      2_554  N
  La2       Sr2       O2             135.432(30)     -2_566  .      4_664  N
  La2       Sr2       O2             135.452(30)     -2_566  .      6_564  N
  La2       Sr2       O3              98.940(29)     -2_566  .     -1_665  N
  La2       Sr2       O3              98.969(29)     -2_566  .     -3_565  N
  La2       Sr2       O3              98.960(29)     -2_566  .     -5_555  N
  La2       Sr2       Sr2               179.9604     -2_566  .     -2_565  N
  La2       Sr2       Sr2                    0.0     -2_566  .     -2_566  N
  Ge        Sr2       Ge              93.385(25)      2_554  .      4_664  N
  Ge        Sr2       Ge              93.400(25)      2_554  .      6_564  N
  Ge        Sr2       O1              96.807(33)      2_554  .      1_555  N
  Ge        Sr2       O1               165.49(4)      2_554  .      3_665  N
  Ge        Sr2       O1              96.272(22)      2_554  .      5_565  N
  Ge        Sr2       O2              30.302(26)      2_554  .      2_554  N
  Ge        Sr2       O2              63.399(31)      2_554  .      4_664  N
  Ge        Sr2       O2                98.75(4)      2_554  .      6_564  N
  Ge        Sr2       O3               124.34(4)      2_554  .     -1_665  N
  Ge        Sr2       O3              92.290(29)      2_554  .     -3_565  N
  Ge        Sr2       O3              30.992(21)      2_554  .     -5_555  N
  Ge        Sr2       Sr2             57.181(19)      2_554  .     -2_565  N
  Ge        Sr2       Sr2            122.838(19)      2_554  .     -2_566  N
  Ge        Sr2       Ge              93.391(25)      4_664  .      6_564  N
  Ge        Sr2       O1              96.246(22)      4_664  .      1_555  N
  Ge        Sr2       O1              96.800(33)      4_664  .      3_665  N
  Ge        Sr2       O1               165.48(4)      4_664  .      5_565  N
  Ge        Sr2       O2                98.74(4)      4_664  .      2_554  N
  Ge        Sr2       O2              30.297(26)      4_664  .      4_664  N
  Ge        Sr2       O2              63.395(31)      4_664  .      6_564  N
  Ge        Sr2       O3              30.987(21)      4_664  .     -1_665  N
  Ge        Sr2       O3               124.36(4)      4_664  .     -3_565  N
  Ge        Sr2       O3              92.268(29)      4_664  .     -5_555  N
  Ge        Sr2       Sr2             57.162(19)      4_664  .     -2_565  N
  Ge        Sr2       Sr2            122.807(19)      4_664  .     -2_566  N
  Ge        Sr2       O1               165.50(4)      6_564  .      1_555  N
  Ge        Sr2       O1              96.272(22)      6_564  .      3_665  N
  Ge        Sr2       O1              96.829(33)      6_564  .      5_565  N
  Ge        Sr2       O2              63.410(31)      6_564  .      2_554  N
  Ge        Sr2       O2                98.75(4)      6_564  .      4_664  N
  Ge        Sr2       O2              30.307(26)      6_564  .      6_564  N
  Ge        Sr2       O3              92.280(29)      6_564  .     -1_665  N
  Ge        Sr2       O3              30.995(21)      6_564  .     -3_565  N
  Ge        Sr2       O3               124.36(4)      6_564  .     -5_555  N
  Ge        Sr2       Sr2             57.174(19)      6_564  .     -2_565  N
  Ge        Sr2       Sr2            122.838(19)      6_564  .     -2_566  N
  O1        Sr2       O1                71.88(5)      1_555  .      3_665  N
  O1        Sr2       O1                71.88(5)      1_555  .      5_565  N
  O1        Sr2       O2               125.31(4)      1_555  .      2_554  N
  O1        Sr2       O2              95.025(29)      1_555  .      4_664  N
  O1        Sr2       O2               154.95(4)      1_555  .      6_564  N
  O1        Sr2       O3                90.44(4)      1_555  .     -1_665  N
  O1        Sr2       O3               137.76(5)      1_555  .     -3_565  N
  O1        Sr2       O3                66.12(4)      1_555  .     -5_555  N
  O1        Sr2       Sr2            137.317(30)      1_555  .     -2_565  N
  O1        Sr2       Sr2             42.671(30)      1_555  .     -2_566  N
  O1        Sr2       O1                71.89(5)      3_665  .      5_565  N
  O1        Sr2       O2               154.99(4)      3_665  .      2_554  N
  O1        Sr2       O2               125.30(4)      3_665  .      4_664  N
  O1        Sr2       O2              95.045(29)      3_665  .      6_564  N
  O1        Sr2       O3                66.12(4)      3_665  .     -1_665  N
  O1        Sr2       O3                90.47(4)      3_665  .     -3_565  N
  O1        Sr2       O3               137.73(5)      3_665  .     -5_555  N
  O1        Sr2       Sr2            137.321(30)      3_665  .     -2_565  N
  O1        Sr2       Sr2             42.661(30)      3_665  .     -2_566  N
  O1        Sr2       O2              95.058(29)      5_565  .      2_554  N
  O1        Sr2       O2               154.96(4)      5_565  .      4_664  N
  O1        Sr2       O2               125.34(4)      5_565  .      6_564  N
  O1        Sr2       O3               137.74(5)      5_565  .     -1_665  N
  O1        Sr2       O3                66.14(4)      5_565  .     -3_565  N
  O1        Sr2       O3                90.46(4)      5_565  .     -5_555  N
  O1        Sr2       Sr2            137.355(30)      5_565  .     -2_565  N
  O1        Sr2       Sr2             42.676(30)      5_565  .     -2_566  N
  O2        Sr2       O2                74.82(5)      2_554  .      4_664  N
  O2        Sr2       O2                74.83(5)      2_554  .      6_564  N
  O2        Sr2       O3               125.53(5)      2_554  .     -1_665  N
  O2        Sr2       O3              64.571(34)      2_554  .     -3_565  N
  O2        Sr2       O3              61.018(29)      2_554  .     -5_555  N
  O2        Sr2       Sr2             44.556(30)      2_554  .     -2_565  N
  O2        Sr2       Sr2            135.474(30)      2_554  .     -2_566  N
  O2        Sr2       O2                74.82(5)      4_664  .      6_564  N
  O2        Sr2       O3              61.007(29)      4_664  .     -1_665  N
  O2        Sr2       O3               125.55(5)      4_664  .     -3_565  N
  O2        Sr2       O3              64.553(34)      4_664  .     -5_555  N
  O2        Sr2       Sr2             44.545(30)      4_664  .     -2_565  N
  O2        Sr2       Sr2            135.432(30)      4_664  .     -2_566  N
  O2        Sr2       O3              64.555(34)      6_564  .     -1_665  N
  O2        Sr2       O3              61.026(29)      6_564  .     -3_565  N
  O2        Sr2       O3               125.54(5)      6_564  .     -5_555  N
  O2        Sr2       Sr2             44.541(30)      6_564  .     -2_565  N
  O2        Sr2       Sr2            135.452(30)      6_564  .     -2_566  N
  O3        Sr2       O3             117.627(15)     -1_665  .     -3_565  N
  O3        Sr2       O3             117.605(15)     -1_665  .     -5_555  N
  O3        Sr2       Sr2             81.030(29)     -1_665  .     -2_565  N
  O3        Sr2       Sr2             98.940(29)     -1_665  .     -2_566  N
  O3        Sr2       O3             117.635(15)     -3_565  .     -5_555  N
  O3        Sr2       Sr2             81.052(29)     -3_565  .     -2_565  N
  O3        Sr2       Sr2             98.969(29)     -3_565  .     -2_566  N
  O3        Sr2       Sr2             81.048(29)     -5_555  .     -2_565  N
  O3        Sr2       Sr2             98.960(29)     -5_555  .     -2_566  N
  Sr2       Sr2       Sr2               179.9604     -2_565  .     -2_566  N
  La1       O5        La1               115.0(7)      2_555  .      3_555  N
  La1       O5        La1               101.7(6)      2_555  .      4_555  N
  La1       O5        Ge                 97.7(7)      2_555  .      2_555  N
  La1       O5        O3                84.9(14)      2_555  .      2_555  N
  La1       O5        La1               111.2(6)      3_555  .      4_555  N
  La1       O5        Ge                129.0(8)      3_555  .      2_555  N
  La1       O5        O3                 71.1(9)      3_555  .      2_555  N
  La1       O5        Ge                 98.1(8)      4_555  .      2_555  N
  La1       O5        O3               170.6(16)      4_555  .      2_555  N
  Ge        O5        O3                74.2(10)      2_555  .      2_555  N
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
